6-nitro-2-oxidanylidene-1,3-dihydrobenzimidazole-4-sulfonic acid

Systemtic Name: 6-nitro-2-oxidanylidene-1,3-dihydrobenzimidazole-4-sulfonic acid Openeye Name: 6-nitro-2-oxo-1,3-dihydrobenzimidazole-4-sulfonic acid CAS Name: 6-nitro-2-oxo-1,3-dihydrobenzimidazole-4-sulfonic acid IUPAC Name: 6-nitro-2-oxo-1,3-dihydrobenzimidazole-4-sulfonic acid Traditional Name: 2-keto-6-nitro-1,3-dihydrobenzimidazole-4-sulfonic acid Formula: C7H5N3O6S MolecularWeight: 259.1961

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1S(=O)(=O)O)NC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C2C(=C1S(=O)(=O)O)NC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C7H5N3O6S/c11-7-8-4-1-3(10(12)13)2-5(6(4)9-7)17(14,15)16/h1-2H,(H2,8,9,11)(H,14,15,16)