6-nitro-3-oxidanylidene-8-(phenylsulfonylaminomethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid

Systemtic Name: 6-nitro-3-oxidanylidene-8-(phenylsulfonylaminomethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Openeye Name: 8-(benzenesulfonamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylic acid CAS Name: 8-(benzenesulfonamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylic acid IUPAC Name: 8-(benzenesulfonamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Traditional Name: 8-(benzenesulfonamidomethyl)-3-keto-6-nitro-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Formula: C16H14N4O7S MolecularWeight: 406.36996

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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)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O7S/c21-15-14(16(22)23)19-13-9(6-10(20(24)25)7-12(13)18-15)8-17-28(26,27)11-4-2-1-3-5-11/h1-7,14,17,19H,8H2,(H,18,21)(H,22,23)