(8-cyano-3-ethanoyl-4-methyl-2-oxidanylidene-1H-quinolin-5-yl) hydrogen sulfate

Systemtic Name: (8-cyano-3-ethanoyl-4-methyl-2-oxidanylidene-1H-quinolin-5-yl) hydrogen sulfate Openeye Name: (3-acetyl-8-cyano-4-methyl-2-oxo-1H-quinolin-5-yl) hydrogen sulfate CAS Name: sulfuric acid (3-acetyl-8-cyano-4-methyl-2-oxo-1H-quinolin-5-yl) ester IUPAC Name: (3-acetyl-8-cyano-4-methyl-2-oxo-1H-quinolin-5-yl) hydrogen sulfate Traditional Name: sulfuric acid (3-acetyl-8-cyano-2-keto-4-methyl-1H-quinolin-5-yl) ester Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC2=C(C=CC(=C12)OS(=O)(=O)O)C#N)C(=O)C

Isomeric SMILES

CC1=C(C(=O)NC2=C(C=CC(=C12)OS(=O)(=O)O)C#N)C(=O)C

InChI

InChI=1S/C13H10N2O6S/c1-6-10(7(2)16)13(17)15-12-8(5-14)3-4-9(11(6)12)21-22(18,19)20/h3-4H,1-2H3,(H,15,17)(H,18,19,20)