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

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C21H24N2O9 MolecularWeight: 448.42326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H24N2O9/c1-28-16-7-6-14(23(26)27)11-15(16)22-19(24)12-32-20(25)8-5-13-9-17(29-2)21(31-4)18(10-13)30-3/h6-7,9-11H,5,8,12H2,1-4H3,(H,22,24)