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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(3-chloroanilino)-4-oxo-butanoate CAS Name: 4-(3-chloroanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(3-chloroanilino)-4-oxobutanoate Traditional Name: 4-(3-chloroanilino)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O6/c1-12-5-6-13(9-16(12)22(26)27)17(23)11-28-19(25)8-7-18(24)21-15-4-2-3-14(20)10-15/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)