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

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(5-chloro-2-methoxy-anilino)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-methoxy-anilino)-4-keto-butyric acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C20H20ClN3O8 MolecularWeight: 465.8411

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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=C(C=CC(=C2)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O8/c1-30-13-4-5-16(24(28)29)14(10-13)22-19(26)11-32-20(27)8-7-18(25)23-15-9-12(21)3-6-17(15)31-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,26)(H,23,25)