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

Systemtic Name: O3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C22H24N2O9 MolecularWeight: 460.43396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O9/c1-4-32-21(26)15-10-16(12-17(11-15)24(28)29)22(27)33-13-20(25)23-8-7-14-5-6-18(30-2)19(9-14)31-3/h5-6,9-12H,4,7-8,13H2,1-3H3,(H,23,25)