ethyl 3-[(3,5-dimethoxyphenyl)carbonyloxymethyl]-7-ethoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 3-[(3,5-dimethoxyphenyl)carbonyloxymethyl]-7-ethoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(3,5-dimethoxyphenyl)-oxomethoxy]methyl]-7-ethoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-7-ethoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(3,5-dimethoxybenzoyl)oxymethyl]-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C23H24N2O8 MolecularWeight: 456.44526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H24N2O8/c1-5-31-15-7-8-18-20(12-15)25(28)21(23(27)32-6-2)19(24-18)13-33-22(26)14-9-16(29-3)11-17(10-14)30-4/h7-12H,5-6,13H2,1-4H3