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

Systemtic Name: methyl 4-oxidanidyl-1-oxidanylidene-3-(pyridin-2-ylsulfonylmethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 4-oxido-1-oxo-3-(2-pyridylsulfonylmethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 4-oxido-1-oxo-3-(2-pyridinylsulfonylmethyl)-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-oxido-1-oxo-3-(pyridin-2-ylsulfonylmethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 1-keto-4-oxido-3-(2-pyridylsulfonylmethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CS(=O)(=O)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CS(=O)(=O)C3=CC=CC=N3

InChI

InChI=1S/C16H13N3O6S/c1-25-16(20)15-13(10-26(23,24)14-8-4-5-9-17-14)18(21)11-6-2-3-7-12(11)19(15)22/h2-9H,10H2,1H3