2-[3-cyano-4-[3-(hydroxymethyl)phenyl]phenyl]-5-oxidanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-[3-(hydroxymethyl)phenyl]phenyl]-5-oxidanyl-pyridine-4-carboxylic acid Openeye Name: 2-[3-cyano-4-[3-(hydroxymethyl)phenyl]phenyl]-5-hydroxy-pyridine-4-carboxylic acid CAS Name: 2-[3-cyano-4-[3-(hydroxymethyl)phenyl]phenyl]-5-hydroxy-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-4-[3-(hydroxymethyl)phenyl]phenyl]-5-hydroxypyridine-4-carboxylic acid Traditional Name: 2-[3-cyano-4-(3-methylolphenyl)phenyl]-5-hydroxy-isonicotinic acid Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CO)C2=C(C=C(C=C2)C3=NC=C(C(=C3)C(=O)O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CO)C2=C(C=C(C=C2)C3=NC=C(C(=C3)C(=O)O)O)C#N

InChI

InChI=1S/C20H14N2O4/c21-9-15-7-14(18-8-17(20(25)26)19(24)10-22-18)4-5-16(15)13-3-1-2-12(6-13)11-23/h1-8,10,23-24H,11H2,(H,25,26)