[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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