4-[3-cyano-5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-pyridin-1-yl]benzoic acid

Systemtic Name: 4-[3-cyano-5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-pyridin-1-yl]benzoic acid Openeye Name: 4-[3-cyano-5-(2-hydroxy-5-methyl-benzoyl)-2-oxo-1-pyridyl]benzoic acid CAS Name: 4-[3-cyano-5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-2-oxo-1-pyridinyl]benzoic acid IUPAC Name: 4-[3-cyano-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridin-1-yl]benzoic acid Traditional Name: 4-[3-cyano-5-(2-hydroxy-5-methyl-benzoyl)-2-keto-1-pyridyl]benzoic acid Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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