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

Systemtic Name: methyl 3-(methylsulfinylmethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(methylsulfinylmethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(methylsulfinylmethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(methylsulfinylmethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-keto-3-(methylsulfinylmethyl)-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C12H12N2O5S MolecularWeight: 296.29908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5S/c1-19-12(15)11-10(7-20(2)18)13(16)8-5-3-4-6-9(8)14(11)17/h3-6H,7H2,1-2H3