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

Systemtic Name: methyl 7-methoxy-1-oxidanidyl-3-(pyridin-4-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-methoxy-1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-1-oxido-3-[[oxo(pyridin-4-yl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 3-(isonicotinoyloxymethyl)-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H15N3O6/c1-25-12-3-4-13-15(9-12)21(24)16(18(23)26-2)14(20-13)10-27-17(22)11-5-7-19-8-6-11/h3-9H,10H2,1-2H3