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

Systemtic Name: methyl 3-(methylsulfonylmethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(methylsulfonylmethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(methylsulfonylmethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(methylsulfonylmethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-keto-3-(mesylmethyl)-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C12H12N2O6S MolecularWeight: 312.29848

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6S/c1-20-12(15)11-10(7-21(2,18)19)13(16)8-5-3-4-6-9(8)14(11)17/h3-6H,7H2,1-2H3