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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC(=O)C2=CC=CC=C2Cl

InChI

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