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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester O1-methyl ester Formula: C20H20N2O10 MolecularWeight: 448.3802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O10/c1-28-15-8-13(9-16(29-2)18(15)30-3)21-17(23)10-32-20(25)12-5-11(19(24)31-4)6-14(7-12)22(26)27/h5-9H,10H2,1-4H3,(H,21,23)