4-[(7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide

Systemtic Name: 4-[(7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide Openeye Name: 4-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide CAS Name: 4-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide IUPAC Name: 4-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide Traditional Name: 4-[(7-nitro-3-oxido-benzofurazan-3-ium-4-yl)amino]benzenesulfonamide Formula: C12H9N5O6S MolecularWeight: 351.29476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C12H9N5O6S/c13-24(21,22)8-3-1-7(2-4-8)14-9-5-6-10(16(18)19)11-12(9)17(20)23-15-11/h1-6,14H,(H2,13,21,22)