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

Systemtic Name: 2-[6-nitro-3-oxidanylidene-8-(phenylsulfonylaminomethyl)-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[8-(benzenesulfonamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[8-(benzenesulfonamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[8-(benzenesulfonamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[8-(benzenesulfonamidomethyl)-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C17H16N4O7S MolecularWeight: 420.39654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O7S/c22-15(23)8-14-17(24)20-13-7-11(21(25)26)6-10(16(13)19-14)9-18-29(27,28)12-4-2-1-3-5-12/h1-7,14,18-19H,8-9H2,(H,20,24)(H,22,23)