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

Systemtic Name: methyl 1-oxidanidyl-3-(pyridin-4-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 1-oxido-3-[[oxo(pyridin-4-yl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 3-(isonicotinoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=NC=C3)[O-]

Isomeric SMILES

COC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=NC=C3)[O-]

InChI

InChI=1S/C17H13N3O5/c1-24-17(22)15-13(10-25-16(21)11-6-8-18-9-7-11)19-12-4-2-3-5-14(12)20(15)23/h2-9H,10H2,1H3