methyl 7-ethoxy-1-oxidanidyl-3-(pyridin-4-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 7-ethoxy-1-oxidanidyl-3-(pyridin-4-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-ethoxy-1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-1-oxido-3-[[oxo(pyridin-4-yl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-ethoxy-1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-3-(isonicotinoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6/c1-3-27-13-4-5-14-16(10-13)22(25)17(19(24)26-2)15(21-14)11-28-18(23)12-6-8-20-9-7-12/h4-10H,3,11H2,1-2H3