3-[(5-cyano-3,4-dimethyl-6-oxidanylidene-1H-pyridin-2-yl)oxy]benzenesulfonic acid

Systemtic Name: 3-[(5-cyano-3,4-dimethyl-6-oxidanylidene-1H-pyridin-2-yl)oxy]benzenesulfonic acid Openeye Name: 3-[(5-cyano-3,4-dimethyl-6-oxo-1H-pyridin-2-yl)oxy]benzenesulfonic acid CAS Name: 3-[(5-cyano-3,4-dimethyl-6-oxo-1H-pyridin-2-yl)oxy]benzenesulfonic acid IUPAC Name: 3-[(5-cyano-3,4-dimethyl-6-oxo-1H-pyridin-2-yl)oxy]benzenesulfonic acid Traditional Name: 3-[(5-cyano-6-keto-3,4-dimethyl-1H-pyridin-2-yl)oxy]besylic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1C)OC2=CC(=CC=C2)S(=O)(=O)O)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1C)OC2=CC(=CC=C2)S(=O)(=O)O)C#N

InChI

InChI=1S/C14H12N2O5S/c1-8-9(2)14(16-13(17)12(8)7-15)21-10-4-3-5-11(6-10)22(18,19)20/h3-6H,1-2H3,(H,16,17)(H,18,19,20)