[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O7/c1-15-9-11-17(12-10-15)25-23(27)22(16-7-5-4-6-8-16)33-24(28)18-13-20(31-2)21(32-3)14-19(18)26(29)30/h4-14,22H,1-3H3,(H,25,27)