6-imidazol-1-yl-7-nitro-2-oxidanylidene-1H-quinoline-3-sulfonic acid

Systemtic Name: 6-imidazol-1-yl-7-nitro-2-oxidanylidene-1H-quinoline-3-sulfonic acid Openeye Name: 6-imidazol-1-yl-7-nitro-2-oxo-1H-quinoline-3-sulfonic acid CAS Name: 6-(1-imidazolyl)-7-nitro-2-oxo-1H-quinoline-3-sulfonic acid IUPAC Name: 6-imidazol-1-yl-7-nitro-2-oxo-1H-quinoline-3-sulfonic acid Traditional Name: 6-imidazol-1-yl-2-keto-7-nitro-1H-quinoline-3-sulfonic acid Formula: C12H8N4O6S MolecularWeight: 336.28012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(C=C3C(=C2)C=C(C(=O)N3)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)C2=C(C=C3C(=C2)C=C(C(=O)N3)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O6S/c17-12-11(23(20,21)22)4-7-3-9(15-2-1-13-6-15)10(16(18)19)5-8(7)14-12/h1-6H,(H,14,17)(H,20,21,22)