[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C20H22N2O9 MolecularWeight: 434.39668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H22N2O9/c1-27-15-6-5-13(22(25)26)10-14(15)21-18(23)11-31-19(24)9-12-7-16(28-2)20(30-4)17(8-12)29-3/h5-8,10H,9,11H2,1-4H3,(H,21,23)