methyl 4-[(4-bromophenyl)amino]-3-nitro-benzoate

Systemtic Name: methyl 4-[(4-bromophenyl)amino]-3-nitro-benzoate Openeye Name: methyl 4-(4-bromoanilino)-3-nitro-benzoate CAS Name: 4-(4-bromoanilino)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-bromoanilino)-3-nitrobenzoate Traditional Name: 4-(4-bromoanilino)-3-nitro-benzoic acid methyl ester Formula: C14H11BrN2O4 MolecularWeight: 351.15214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN2O4/c1-21-14(18)9-2-7-12(13(8-9)17(19)20)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3