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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Phenylpropanes (292)
Styrenes (86)
Phenylcarbamic acid esters (67)
Benzyl Derivatives (31)
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Hydroxybenzoic Acid Derivatives (16)
Diphenylmethanes (14)
Benzoyl derivatives (12)
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Phenoxyacetic acid derivatives (9)
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Phenylphosphines and derivatives (7)
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Benzamides (3)
Aniline and substituted anilines (2)
Benzoic acid esters (2)
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Biphenyls and derivatives (2)
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Phthalic acid and derivatives (1)

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1 – 15 of 264 results
1

3-[(tert-Butoxycarbonyl)amino]-5-hydroxybenzoic acid, 95%, Thermo Scientific™

CAS: 232595-59-4 Molecular Formula: C12H15NO5 Molecular Weight (g/mol): 253.25 MDL Number: MFCD02682202 InChI Key: KSTCXQVSGVVIAO-UHFFFAOYSA-N Synonym: 3-tert-butoxycarbonyl amino-5-hydroxybenzoic acid,3-n-boc-amino-5-hydroxybenzoic acid,3-amino-5-hydroxybenzoic acid, n-boc protected,3-tert-butoxycarbonylamino-5-hydroxy-benzoic acid,3-tert-butoxy carbonylamino-5-hydroxybenzoic acid PubChem CID: 18322886 IUPAC Name: 3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid SMILES: CC(C)(C)OC(=O)NC1=CC(O)=CC(=C1)C(O)=O

PubChem CID 18322886
CAS 232595-59-4
Molecular Weight (g/mol) 253.25
MDL Number MFCD02682202
SMILES CC(C)(C)OC(=O)NC1=CC(O)=CC(=C1)C(O)=O
Synonym 3-tert-butoxycarbonyl amino-5-hydroxybenzoic acid,3-n-boc-amino-5-hydroxybenzoic acid,3-amino-5-hydroxybenzoic acid, n-boc protected,3-tert-butoxycarbonylamino-5-hydroxy-benzoic acid,3-tert-butoxy carbonylamino-5-hydroxybenzoic acid
IUPAC Name 3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI Key KSTCXQVSGVVIAO-UHFFFAOYSA-N
Molecular Formula C12H15NO5
2

N-Benzyl-tert-butylamine, 96%

CAS: 3378-72-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00008798 InChI Key: DLSOILHAKCBARI-UHFFFAOYSA-N Synonym: n-tert-butyl benzylamine,n-tert-butylbenzylamine,n-benzyl-tert-butylamine,tert-butylbenzylamine,n-t-butylbenzylamine,benzenemethanamine, n-1,1-dimethylethyl,benzyl tert-butyl amine,tert-butyl benzylamine,t-butylbenzylamine,n-1,1-dimethylethyl benzylamine PubChem CID: 76908 IUPAC Name: N-benzyl-2-methylpropan-2-amine SMILES: CC(C)(C)NCC1=CC=CC=C1

PubChem CID 76908
CAS 3378-72-1
Molecular Weight (g/mol) 163.264
MDL Number MFCD00008798
SMILES CC(C)(C)NCC1=CC=CC=C1
Synonym n-tert-butyl benzylamine,n-tert-butylbenzylamine,n-benzyl-tert-butylamine,tert-butylbenzylamine,n-t-butylbenzylamine,benzenemethanamine, n-1,1-dimethylethyl,benzyl tert-butyl amine,tert-butyl benzylamine,t-butylbenzylamine,n-1,1-dimethylethyl benzylamine
IUPAC Name N-benzyl-2-methylpropan-2-amine
InChI Key DLSOILHAKCBARI-UHFFFAOYSA-N
Molecular Formula C11H17N
3

N-(4-tert-butylbenzyl)-N-methylamine, Thermo Scientific™

CAS: 65542-26-9 Molecular Formula: C12H19N Molecular Weight (g/mol): 177.291 InChI Key: ZSHCHOYJMLEAOX-UHFFFAOYSA-N Synonym: n-4-tert-butylbenzyl-n-methylamine,4-tert-butylphenyl methyl methyl amine,1-4-tert-butyl phenyl-n-methylmethanamine,1-4-tert-butylphenyl-n-methylmethanamine,4-tert-butylbenzylmethylamine,n-methyl-4-tert-butylbenzylamine,n-methyl-4-tert.butylbenzylamine,n-methyl 4-tert-butylbenzyl amine,4-tert-butyl phenyl methyl methylamine,benzenemethanamine,4-1,1-dimethylethyl-n-methyl PubChem CID: 2396874 IUPAC Name: 1-(4-tert-butylphenyl)-N-methylmethanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CNC

PubChem CID 2396874
CAS 65542-26-9
Molecular Weight (g/mol) 177.291
SMILES CC(C)(C)C1=CC=C(C=C1)CNC
Synonym n-4-tert-butylbenzyl-n-methylamine,4-tert-butylphenyl methyl methyl amine,1-4-tert-butyl phenyl-n-methylmethanamine,1-4-tert-butylphenyl-n-methylmethanamine,4-tert-butylbenzylmethylamine,n-methyl-4-tert-butylbenzylamine,n-methyl-4-tert.butylbenzylamine,n-methyl 4-tert-butylbenzyl amine,4-tert-butyl phenyl methyl methylamine,benzenemethanamine,4-1,1-dimethylethyl-n-methyl
IUPAC Name 1-(4-tert-butylphenyl)-N-methylmethanamine
InChI Key ZSHCHOYJMLEAOX-UHFFFAOYSA-N
Molecular Formula C12H19N
4

N-(Diphenylmethylene)glycine tert-butyl ester, 99%

CAS: 81477-94-3 Molecular Formula: C19H21NO2 Molecular Weight (g/mol): 295.382 MDL Number: MFCD00134280 InChI Key: YSHDPXQDVKNPKA-UHFFFAOYSA-N Synonym: n-diphenylmethylene glycine tert-butyl ester,diphenylmethylene-glycine t-butyl ester,tert-butyl 2-diphenylmethylene amino acetate,n-diphenylmethylene glycerine tert-butyl ester,tert-butyl 2-diphenylmethyleneamino acetate,diphenylmethyleneamino acetic acid tert-butyl ester,tert-butyl diphenylmethyleneamino acetate,n-diphenylmethylene glycinetert-butylester,tert-butyl 2-benzhydrylideneamino acetate,glycine, n-diphenylmethylene-, 1,1-dimethylethyl ester PubChem CID: 688171 IUPAC Name: tert-butyl 2-(benzhydrylideneamino)acetate SMILES: CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2

PubChem CID 688171
CAS 81477-94-3
Molecular Weight (g/mol) 295.382
MDL Number MFCD00134280
SMILES CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2
Synonym n-diphenylmethylene glycine tert-butyl ester,diphenylmethylene-glycine t-butyl ester,tert-butyl 2-diphenylmethylene amino acetate,n-diphenylmethylene glycerine tert-butyl ester,tert-butyl 2-diphenylmethyleneamino acetate,diphenylmethyleneamino acetic acid tert-butyl ester,tert-butyl diphenylmethyleneamino acetate,n-diphenylmethylene glycinetert-butylester,tert-butyl 2-benzhydrylideneamino acetate,glycine, n-diphenylmethylene-, 1,1-dimethylethyl ester
IUPAC Name tert-butyl 2-(benzhydrylideneamino)acetate
InChI Key YSHDPXQDVKNPKA-UHFFFAOYSA-N
Molecular Formula C19H21NO2
6

tert-Butyl N-(4-formylbenzyl)carbamate, 97%, Thermo Scientific™

CAS: 156866-52-3 Molecular Formula: C13H17NO3 Molecular Weight (g/mol): 235.283 InChI Key: HRJJBEIFHFVBRT-UHFFFAOYSA-N Synonym: tert-butyl 4-formylbenzylcarbamate,tert-butyl n-4-formylbenzyl carbamate,tert-butyl n-4-formylphenyl methyl carbamate,tert-butyln-4-formylbenzyl carbamate,tert-butyl 4-formylbenzyl carbamate,tert-butyln-4-formylphenyl methyl carbamate,n-boc-4-aminomethylbenzaldehyde,tert-butyl n-4 formylbenzyl carbamate,4-aminomethyl benzaldehyde,n-boc protected,4-formyl-benzyl-carbamic acid t-butyl ester PubChem CID: 2794832 IUPAC Name: tert-butyl N-[(4-formylphenyl)methyl]carbamate SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C=O

PubChem CID 2794832
CAS 156866-52-3
Molecular Weight (g/mol) 235.283
SMILES CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C=O
Synonym tert-butyl 4-formylbenzylcarbamate,tert-butyl n-4-formylbenzyl carbamate,tert-butyl n-4-formylphenyl methyl carbamate,tert-butyln-4-formylbenzyl carbamate,tert-butyl 4-formylbenzyl carbamate,tert-butyln-4-formylphenyl methyl carbamate,n-boc-4-aminomethylbenzaldehyde,tert-butyl n-4 formylbenzyl carbamate,4-aminomethyl benzaldehyde,n-boc protected,4-formyl-benzyl-carbamic acid t-butyl ester
IUPAC Name tert-butyl N-[(4-formylphenyl)methyl]carbamate
InChI Key HRJJBEIFHFVBRT-UHFFFAOYSA-N
Molecular Formula C13H17NO3
7

tert-Butyl N-(3-formylbenzyl)carbamate, 90%, Thermo Scientific™

CAS: 170853-04-0 Molecular Formula: C13H17NO3 Molecular Weight (g/mol): 235.283 InChI Key: JORXNWZTJLYRQA-UHFFFAOYSA-N PubChem CID: 2794834 IUPAC Name: tert-butyl N-[(3-formylphenyl)methyl]carbamate SMILES: CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C=O

PubChem CID 2794834
CAS 170853-04-0
Molecular Weight (g/mol) 235.283
SMILES CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C=O
IUPAC Name tert-butyl N-[(3-formylphenyl)methyl]carbamate
InChI Key JORXNWZTJLYRQA-UHFFFAOYSA-N
Molecular Formula C13H17NO3
8

tert-Butyl N-[4-(aminomethyl)phenyl]carbamate, 97%, Thermo Scientific™

CAS: 220298-96-4 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD02183573 InChI Key: URXUHALBOWYXJZ-UHFFFAOYSA-N Synonym: tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate PubChem CID: 2794659 IUPAC Name: tert-butyl N-[4-(aminomethyl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1

PubChem CID 2794659
CAS 220298-96-4
Molecular Weight (g/mol) 222.29
MDL Number MFCD02183573
SMILES CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1
Synonym tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate
IUPAC Name tert-butyl N-[4-(aminomethyl)phenyl]carbamate
InChI Key URXUHALBOWYXJZ-UHFFFAOYSA-N
Molecular Formula C12H18N2O2
9

tert-Butyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate, 97+%, Thermo Scientific Chemicals

CAS: 330793-01-6 Molecular Formula: C17H26BNO4 Molecular Weight (g/mol): 319.21 MDL Number: MFCD02179439 InChI Key: HSJNIOYPTSKQBD-UHFFFAOYSA-N Synonym: 4-n-boc-amino phenylboronic acid pinacol ester,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino phenylboronic acid pinacol cyclic ester,4-boc-aminophenylboronic acid, pinacol ester,4-tert-butoxycarbonyl aminophenylboronic acid, pinacol ester,tert-butyl n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenylcarbamate PubChem CID: 2734617 IUPAC Name: tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

PubChem CID 2734617
CAS 330793-01-6
Molecular Weight (g/mol) 319.21
MDL Number MFCD02179439
SMILES CC(C)(C)OC(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1
Synonym 4-n-boc-amino phenylboronic acid pinacol ester,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino phenylboronic acid pinacol cyclic ester,4-boc-aminophenylboronic acid, pinacol ester,4-tert-butoxycarbonyl aminophenylboronic acid, pinacol ester,tert-butyl n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenylcarbamate
IUPAC Name tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI Key HSJNIOYPTSKQBD-UHFFFAOYSA-N
Molecular Formula C17H26BNO4
11

Phthalic acid, mono-n-butyl ester 100 μg/mL in Methyl-tert-butyl ether, Dr. Ehrenstorfer

Discover Dr. Ehrenstorfer’s certified reference materials: available in multiple formats, including multi-component regulatory mixtures, to power your food and environmental analysis with traceable, ISO-accredited quality

12

N-Boc-beta-phenyl-D-phenylalanine, 98%

CAS: 143060-31-5 Molecular Formula: C20H23NO4 Molecular Weight (g/mol): 341.41 MDL Number: MFCD00191187 InChI Key: TYJDOLCFYZSNQC-UHFFFAOYNA-N Synonym: boc-d-3,3-diphenylalanine,boc-d-ala 3,3-diphenyl-oh,r-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,boc-3,3-diphenyl-d-alanine,r-n-boc-2-amino-3,3-diphenylpropionic acid,n-boc-beta-phenyl-d-phenylalanine,n-tert-butoxycarbonyl-beta-phenyl-d-phenylalanine,2r-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,n-tert-butoxycarbonyl-3-phenyl-l-phenylalanine,n-boc-b-phenyl-d-phenylalanine PubChem CID: 7019136 SMILES: CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O

PubChem CID 7019136
CAS 143060-31-5
Molecular Weight (g/mol) 341.41
MDL Number MFCD00191187
SMILES CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O
Synonym boc-d-3,3-diphenylalanine,boc-d-ala 3,3-diphenyl-oh,r-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,boc-3,3-diphenyl-d-alanine,r-n-boc-2-amino-3,3-diphenylpropionic acid,n-boc-beta-phenyl-d-phenylalanine,n-tert-butoxycarbonyl-beta-phenyl-d-phenylalanine,2r-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,n-tert-butoxycarbonyl-3-phenyl-l-phenylalanine,n-boc-b-phenyl-d-phenylalanine
InChI Key TYJDOLCFYZSNQC-UHFFFAOYNA-N
Molecular Formula C20H23NO4
13

N-Boc-O-benzyl-L-threonine, 99%

CAS: 15260-10-3 Molecular Formula: C16H23NO5 Molecular Weight (g/mol): 309.36 MDL Number: MFCD00066062 InChI Key: CTXPLTPDOISPTE-YPMHNXCESA-N Synonym: boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid PubChem CID: 1549483 IUPAC Name: (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoic acid SMILES: C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O

PubChem CID 1549483
CAS 15260-10-3
Molecular Weight (g/mol) 309.36
MDL Number MFCD00066062
SMILES C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid
IUPAC Name (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoic acid
InChI Key CTXPLTPDOISPTE-YPMHNXCESA-N
Molecular Formula C16H23NO5
14

N-Boc-3,3-diphenyl-L-alanine, 95%

CAS: 138662-63-2 Molecular Formula: C20H23NO4 Molecular Weight (g/mol): 341.407 MDL Number: MFCD00191186 InChI Key: TYJDOLCFYZSNQC-KRWDZBQOSA-N Synonym: boc-l-3,3-diphenylalanine,boc-3,3-diphenyl-l-alanine,s-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,s-n-boc-2-amino-3,3-diphenylpropionic acid,n-boc-beta-phenyl-l-phenylalanine,boc-beta-phenyl-phe-oh,n-tert-butoxycarbonyl-beta-phenyl-l-phenylalanine,s-2-tert-butoxycarbonylamino-3,3-diphenylpropanoic acid,2s-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,pubchem20362 PubChem CID: 2761487 IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O

PubChem CID 2761487
CAS 138662-63-2
Molecular Weight (g/mol) 341.407
MDL Number MFCD00191186
SMILES CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O
Synonym boc-l-3,3-diphenylalanine,boc-3,3-diphenyl-l-alanine,s-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,s-n-boc-2-amino-3,3-diphenylpropionic acid,n-boc-beta-phenyl-l-phenylalanine,boc-beta-phenyl-phe-oh,n-tert-butoxycarbonyl-beta-phenyl-l-phenylalanine,s-2-tert-butoxycarbonylamino-3,3-diphenylpropanoic acid,2s-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,pubchem20362
IUPAC Name (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoic acid
InChI Key TYJDOLCFYZSNQC-KRWDZBQOSA-N
Molecular Formula C20H23NO4
15

N-Boc-4-bromoaniline, 97%

CAS: 131818-17-2 Molecular Formula: C11H14BrNO2 Molecular Weight (g/mol): 272.14 MDL Number: MFCD01006612 InChI Key: VLGPDTPSKUUHKR-UHFFFAOYSA-N Synonym: tert-butyl 4-bromophenyl carbamate,tert-butyl n-4-bromophenyl carbamate,tert-butyl 4-bromophenylcarbamate,n-boc-4-bromoaniline,n-tert-butoxycarbonyl-4-bromoaniline,metronidazolebenzoate,n-boc 4-bromoaniline,4-bromo-n-boc aniline,acmc-1c4z5,t-butyl 4-bromophenylcarbamate PubChem CID: 2773608 IUPAC Name: tert-butyl N-(4-bromophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1

PubChem CID 2773608
CAS 131818-17-2
Molecular Weight (g/mol) 272.14
MDL Number MFCD01006612
SMILES CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1
Synonym tert-butyl 4-bromophenyl carbamate,tert-butyl n-4-bromophenyl carbamate,tert-butyl 4-bromophenylcarbamate,n-boc-4-bromoaniline,n-tert-butoxycarbonyl-4-bromoaniline,metronidazolebenzoate,n-boc 4-bromoaniline,4-bromo-n-boc aniline,acmc-1c4z5,t-butyl 4-bromophenylcarbamate
IUPAC Name tert-butyl N-(4-bromophenyl)carbamate
InChI Key VLGPDTPSKUUHKR-UHFFFAOYSA-N
Molecular Formula C11H14BrNO2