O3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(veratrylamino)ethyl] ester O1-methyl ester Formula: C20H20N2O9 MolecularWeight: 432.3808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O9/c1-28-16-5-4-12(6-17(16)29-2)10-21-18(23)11-31-20(25)14-7-13(19(24)30-3)8-15(9-14)22(26)27/h4-9H,10-11H2,1-3H3,(H,21,23)