N-[[3-(hydroxymethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide

Systemtic Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide Openeye Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide CAS Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide IUPAC Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide Traditional Name: N-[(2-keto-3-methylol-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl)methyl]methanesulfonamide Formula: C11H14N4O6S MolecularWeight: 330.31706

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)CO)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)CO)[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O6S/c1-22(20,21)12-4-6-2-7(15(18)19)3-8-10(6)13-9(5-16)11(17)14-8/h2-3,9,12-13,16H,4-5H2,1H3,(H,14,17)