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Nitrobenzenes

Organic compounds that consist of a phenyl group with a nitro functional group substitution in the following structure: C6H5NO2; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond.

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1 – 8 of 8 results
1

4-Nitroanisole, 99+%

CAS: 100-17-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007327 InChI Key: BNUHAJGCKIQFGE-UHFFFAOYSA-N Synonym: 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh PubChem CID: 7485 ChEBI: CHEBI:1911 IUPAC Name: 1-methoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 7485
CAS 100-17-4
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:1911
MDL Number MFCD00007327
SMILES COC1=CC=C(C=C1)[N+]([O-])=O
Synonym 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh
IUPAC Name 1-methoxy-4-nitrobenzene
InChI Key BNUHAJGCKIQFGE-UHFFFAOYSA-N
Molecular Formula C7H7NO3
2

Cinitapride, TRC

CAS: 66564-14-5 Molecular Formula: C21 H30 N4 O4 Molecular Weight (g/mol): 402.49 Synonym: 4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide,Cinitapride IUPAC Name: 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide SMILES: CCOc1cc(N)c(cc1C(=O)NC2CCN(CC3CCC=CC3)CC2)[N+](=O)[O-]

CAS 66564-14-5
Molecular Weight (g/mol) 402.49
SMILES CCOc1cc(N)c(cc1C(=O)NC2CCN(CC3CCC=CC3)CC2)[N+](=O)[O-]
Synonym 4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide,Cinitapride
IUPAC Name 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide
Molecular Formula C21 H30 N4 O4
4

Nitrodenafil, TRC

CAS: 147676-99-1 Molecular Formula: C17 H19 N5 O4 Molecular Weight (g/mol): 357.36 Synonym: 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(2-ethoxy-5-nitrophenyl)-1,6-dihydro-1-methyl-3-propyl-,7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(2-ethoxy-5-nitrophenyl)-1,4-dihydro-1-methyl-3-propyl- (9CI),5-(2-Ethoxy-5-nitrophenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one,Nitrodenafil IUPAC Name: 5-(2-ethoxy-5-nitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one SMILES: CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[N+](=O)[O-]

CAS 147676-99-1
Molecular Weight (g/mol) 357.36
SMILES CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[N+](=O)[O-]
Synonym 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(2-ethoxy-5-nitrophenyl)-1,6-dihydro-1-methyl-3-propyl-,7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(2-ethoxy-5-nitrophenyl)-1,4-dihydro-1-methyl-3-propyl- (9CI),5-(2-Ethoxy-5-nitrophenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one,Nitrodenafil
IUPAC Name 5-(2-ethoxy-5-nitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Molecular Formula C17 H19 N5 O4
5

Cinitapride Tartrate, TRC

CAS: 96623-56-2 Molecular Formula: C21 H30 N4 O4 . C4 H6 O6 Molecular Weight (g/mol): 552.57 Synonym: Dihydroxybutanedioate,4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide [R-(R*,R*)]-2,3-Dihydroxybutanedioate,Blaston,Cidine,4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide (2R,3R)-2,3-dihydroxybutanedioate (1:1) IUPAC Name: 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)-4-piperidyl]-2-ethoxy-5-nitro-benzamide;(2R,3R)-2,3-dihydroxybutanedioic acid SMILES: CCOc1cc(N)c(cc1C(=O)NC2CCN(CC3CCC=CC3)CC2)[N+](=O)[O-].O[C@H]([C@@H](O)C(=O)O)C(=O)O

CAS 96623-56-2
Molecular Weight (g/mol) 552.57
SMILES CCOc1cc(N)c(cc1C(=O)NC2CCN(CC3CCC=CC3)CC2)[N+](=O)[O-].O[C@H]([C@@H](O)C(=O)O)C(=O)O
Synonym Dihydroxybutanedioate,4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide [R-(R*,R*)]-2,3-Dihydroxybutanedioate,Blaston,Cidine,4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide (2R,3R)-2,3-dihydroxybutanedioate (1:1)
IUPAC Name 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)-4-piperidyl]-2-ethoxy-5-nitro-benzamide;(2R,3R)-2,3-dihydroxybutanedioic acid
Molecular Formula C21 H30 N4 O4 . C4 H6 O6
6

Permanent Yellow Rn, TRC

CAS: 6528-34-3 Molecular Formula: C18H18N4O6 Molecular Weight (g/mol): 386.36 IUPAC Name: 2-[(E)-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide SMILES: COc1ccc(N=NC(C(=O)C)C(=O)Nc2ccccc2OC)c(c1)[N+](=O)[O-]

CAS 6528-34-3
Molecular Weight (g/mol) 386.36
SMILES COc1ccc(N=NC(C(=O)C)C(=O)Nc2ccccc2OC)c(c1)[N+](=O)[O-]
IUPAC Name 2-[(E)-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
Molecular Formula C18H18N4O6
7

1-Nitro-4-(trifluoromethoxy)benzene, 98+%, Thermo Scientific™

CAS: 713-65-5 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00040302 InChI Key: UBEIKVUMDBCCRW-UHFFFAOYSA-N Synonym: 1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole PubChem CID: 522405 IUPAC Name: 1-nitro-4-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1

PubChem CID 522405
CAS 713-65-5
Molecular Weight (g/mol) 207.11
MDL Number MFCD00040302
SMILES [O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1
Synonym 1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole
IUPAC Name 1-nitro-4-(trifluoromethoxy)benzene
InChI Key UBEIKVUMDBCCRW-UHFFFAOYSA-N
Molecular Formula C7H4F3NO3
8

1,4-Di-n-butoxy-2-nitrobenzene, 98%, Thermo Scientific™

CAS: 135-15-9 Molecular Formula: C14H21NO4 Molecular Weight (g/mol): 267.33 MDL Number: MFCD00272266 InChI Key: UVLGMZCLSQBSPZ-UHFFFAOYSA-N PubChem CID: 67265 IUPAC Name: 1,4-dibutoxy-2-nitrobenzene SMILES: CCCCOC1=CC=C(OCCCC)C(=C1)[N+]([O-])=O

PubChem CID 67265
CAS 135-15-9
Molecular Weight (g/mol) 267.33
MDL Number MFCD00272266
SMILES CCCCOC1=CC=C(OCCCC)C(=C1)[N+]([O-])=O
IUPAC Name 1,4-dibutoxy-2-nitrobenzene
InChI Key UVLGMZCLSQBSPZ-UHFFFAOYSA-N
Molecular Formula C14H21NO4