2-[8-(methylsulfonylaminomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid

Systemtic Name: 2-[8-(methylsulfonylaminomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[8-(methanesulfonamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[8-(methanesulfonamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[8-(methanesulfonamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[3-keto-8-(methanesulfonamidomethyl)-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C12H14N4O7S MolecularWeight: 358.32716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O7S/c1-24(22,23)13-5-6-2-7(16(20)21)3-8-11(6)14-9(4-10(17)18)12(19)15-8/h2-3,9,13-14H,4-5H2,1H3,(H,15,19)(H,17,18)