[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate CAS Name: 2-[(N-methylanilino)-oxomethyl]benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate Traditional Name: 2-[methyl(phenyl)carbamoyl]benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C30H25N3O6 MolecularWeight: 523.536

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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=CC=C3C(=O)N(C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C(=O)N(C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H25N3O6/c1-20-17-18-25(26(19-20)33(37)38)31-28(34)27(21-11-5-3-6-12-21)39-30(36)24-16-10-9-15-23(24)29(35)32(2)22-13-7-4-8-14-22/h3-19,27H,1-2H3,(H,31,34)