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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(2-methylanilino)-4-oxo-butanoate CAS Name: 4-(2-methylanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(2-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(o-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=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=CC=C2C)[N+](=O)[O-]

InChI

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