[4-(phenylcarbonyl)phenyl]methyl 4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [4-(phenylcarbonyl)phenyl]methyl 4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-benzoylphenyl)methyl 4-(4-methoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-methoxy-2-nitroanilino)-4-oxobutanoic acid (4-benzoylphenyl)methyl ester IUPAC Name: (4-benzoylphenyl)methyl 4-(4-methoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methoxy-2-nitro-anilino)butyric acid (4-benzoylbenzyl) ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O7/c1-33-20-11-12-21(22(15-20)27(31)32)26-23(28)13-14-24(29)34-16-17-7-9-19(10-8-17)25(30)18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,26,28)