[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C22H19N3O6 MolecularWeight: 421.40276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6/c1-30-17-9-5-8-16(13-17)24-21(26)20(14-6-3-2-4-7-14)31-22(27)15-10-11-18(23)19(12-15)25(28)29/h2-13,20H,23H2,1H3,(H,24,26)