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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(3-methylanilino)-4-oxo-butanoate CAS Name: 4-(3-methylanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(m-toluidino)butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-13-4-3-5-15(10-13)21-18(24)8-9-20(26)29-12-19(25)22-16-7-6-14(2)17(11-16)23(27)28/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)(H,22,25)