1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazole-4-sulfonic acid

Systemtic Name: 1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazole-4-sulfonic acid Openeye Name: 1,3-dimethyl-6-nitro-2-oxo-benzimidazole-4-sulfonic acid CAS Name: 1,3-dimethyl-6-nitro-2-oxo-4-benzimidazolesulfonic acid IUPAC Name: 1,3-dimethyl-6-nitro-2-oxobenzimidazole-4-sulfonic acid Traditional Name: 2-keto-1,3-dimethyl-6-nitro-benzimidazole-4-sulfonic acid Formula: C9H9N3O6S MolecularWeight: 287.24926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2N(C1=O)C)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC(=CC(=C2N(C1=O)C)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O6S/c1-10-6-3-5(12(14)15)4-7(19(16,17)18)8(6)11(2)9(10)13/h3-4H,1-2H3,(H,16,17,18)