2-[3-cyano-5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-pyridin-1-yl]benzoic acid

Systemtic Name: 2-[3-cyano-5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-pyridin-1-yl]benzoic acid Openeye Name: 2-[3-cyano-5-(2-hydroxy-5-methyl-benzoyl)-2-oxo-1-pyridyl]benzoic acid CAS Name: 2-[3-cyano-5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-2-oxo-1-pyridinyl]benzoic acid IUPAC Name: 2-[3-cyano-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridin-1-yl]benzoic acid Traditional Name: 2-[3-cyano-5-(2-hydroxy-5-methyl-benzoyl)-2-keto-1-pyridyl]benzoic acid Formula: C21H14N2O5 MolecularWeight: 374.34626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H14N2O5/c1-12-6-7-18(24)16(8-12)19(25)14-9-13(10-22)20(26)23(11-14)17-5-3-2-4-15(17)21(27)28/h2-9,11,24H,1H3,(H,27,28)