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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(3,4-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(3,4-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylanilino)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O6/c1-13-4-6-16(10-15(13)3)22-19(25)8-9-21(27)30-12-20(26)23-17-7-5-14(2)18(11-17)24(28)29/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,25)(H,23,26)