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

Systemtic Name: [4-(phenylcarbonyl)phenyl]methyl 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-benzoylphenyl)methyl 4-(4-methyl-2-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid (4-benzoylphenyl)methyl ester IUPAC Name: (4-benzoylphenyl)methyl 4-(4-methyl-2-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)butyric acid (4-benzoylbenzyl) ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=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/C25H22N2O6/c1-17-7-12-21(22(15-17)27(31)32)26-23(28)13-14-24(29)33-16-18-8-10-20(11-9-18)25(30)19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,26,28)