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

Systemtic Name: O3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(homoveratrylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C21H22N2O9 MolecularWeight: 446.40738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O9/c1-29-17-5-4-13(8-18(17)30-2)6-7-22-19(24)12-32-21(26)15-9-14(20(25)31-3)10-16(11-15)23(27)28/h4-5,8-11H,6-7,12H2,1-3H3,(H,22,24)