[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 4-(2,5-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylanilino)-4-oxobutanoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-(2,5-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylanilino)-4-keto-butyric acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O6/c1-12-3-4-13(2)16(9-12)22-19(25)7-8-20(26)29-11-18(24)14-5-6-15(21)17(10-14)23(27)28/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)