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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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