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

Systemtic Name: 7-nitro-2-oxidanylidene-6-pyrrol-1-yl-1H-quinoline-3-sulfonic acid Openeye Name: 7-nitro-2-oxo-6-pyrrol-1-yl-1H-quinoline-3-sulfonic acid CAS Name: 7-nitro-2-oxo-6-(1-pyrrolyl)-1H-quinoline-3-sulfonic acid IUPAC Name: 7-nitro-2-oxo-6-pyrrol-1-yl-1H-quinoline-3-sulfonic acid Traditional Name: 2-keto-7-nitro-6-pyrrol-1-yl-1H-quinoline-3-sulfonic acid Formula: C13H9N3O6S MolecularWeight: 335.29206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O6S/c17-13-12(23(20,21)22)6-8-5-10(15-3-1-2-4-15)11(16(18)19)7-9(8)14-13/h1-7H,(H,14,17)(H,20,21,22)