2-(4-nitroimidazol-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(4-nitroimidazol-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 2-(4-nitroimidazol-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 2-(4-nitro-1-imidazolyl)-5-sulfamoylbenzoic acid IUPAC Name: 2-(4-nitroimidazol-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 2-(4-nitroimidazol-1-yl)-5-sulfamoyl-benzoic acid Formula: C10H8N4O6S MolecularWeight: 312.25872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O6S/c11-21(19,20)6-1-2-8(7(3-6)10(15)16)13-4-9(12-5-13)14(17)18/h1-5H,(H,15,16)(H2,11,19,20)