[2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(3-chloroanilino)-4-oxo-butanoate CAS Name: 4-(3-chloroanilino)-4-oxobutanoic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 4-(3-chloroanilino)-4-oxobutanoate Traditional Name: 4-(3-chloroanilino)-4-keto-butyric acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C19H18ClN3O7 MolecularWeight: 435.81512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H18ClN3O7/c1-29-14-5-6-16(23(27)28)15(10-14)22-18(25)11-30-19(26)8-7-17(24)21-13-4-2-3-12(20)9-13/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)(H,22,25)