(7-cyano-4-oxidanylidene-1H-quinolin-3-yl) ethanesulfonate

Systemtic Name: (7-cyano-4-oxidanylidene-1H-quinolin-3-yl) ethanesulfonate Openeye Name: (7-cyano-4-oxo-1H-quinolin-3-yl) ethanesulfonate CAS Name: ethanesulfonic acid (7-cyano-4-oxo-1H-quinolin-3-yl) ester IUPAC Name: (7-cyano-4-oxo-1H-quinolin-3-yl) ethanesulfonate Traditional Name: ethanesulfonic acid (7-cyano-4-keto-1H-quinolin-3-yl) ester Formula: C12H10N2O4S MolecularWeight: 278.2838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CNC2=C(C1=O)C=CC(=C2)C#N

Isomeric SMILES

CCS(=O)(=O)OC1=CNC2=C(C1=O)C=CC(=C2)C#N

InChI

InChI=1S/C12H10N2O4S/c1-2-19(16,17)18-11-7-14-10-5-8(6-13)3-4-9(10)12(11)15/h3-5,7H,2H2,1H3,(H,14,15)