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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-(4-methyl-2-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(4-methyl-2-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)butyric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-13-4-7-17(18(10-13)23(27)28)22-20(25)8-9-21(26)29-12-19(24)16-6-5-14(2)15(3)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,25)