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

Systemtic Name: 7-cyano-2-oxidanylidene-6-pyrrol-1-yl-1H-quinoline-3-sulfonic acid Openeye Name: 7-cyano-2-oxo-6-pyrrol-1-yl-1H-quinoline-3-sulfonic acid CAS Name: 7-cyano-2-oxo-6-(1-pyrrolyl)-1H-quinoline-3-sulfonic acid IUPAC Name: 7-cyano-2-oxo-6-pyrrol-1-yl-1H-quinoline-3-sulfonic acid Traditional Name: 7-cyano-2-keto-6-pyrrol-1-yl-1H-quinoline-3-sulfonic acid Formula: C14H9N3O4S MolecularWeight: 315.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC3=C(C=C2C#N)NC(=O)C(=C3)S(=O)(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=CC3=C(C=C2C#N)NC(=O)C(=C3)S(=O)(=O)O

InChI

InChI=1S/C14H9N3O4S/c15-8-10-5-11-9(6-12(10)17-3-1-2-4-17)7-13(14(18)16-11)22(19,20)21/h1-7H,(H,16,18)(H,19,20,21)