[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)carbonylbenzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 2-(3,4-dimethylbenzoyl)benzoate CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-(3,4-dimethylbenzoyl)benzoate Traditional Name: 2-(3,4-dimethylbenzoyl)benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O6/c1-15-8-11-21(22(12-15)27(31)32)26-23(28)14-33-25(30)20-7-5-4-6-19(20)24(29)18-10-9-16(2)17(3)13-18/h4-13H,14H2,1-3H3,(H,26,28)