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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8/c1-27-15-8-13(9-16(11-15)28-2)4-7-20(24)30-12-19(23)21-17-6-5-14(22(25)26)10-18(17)29-3/h5-6,8-11H,4,7,12H2,1-3H3,(H,21,23)