4-[oxidanyl(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-[oxidanyl(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-[hydroxy(3-pyridyl)methyl]benzofuran-2-carboxylic acid CAS Name: 4-[hydroxy(3-pyridinyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 4-[hydroxy(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-[hydroxy(3-pyridyl)methyl]coumarilic acid Formula: C15H11NO4 MolecularWeight: 269.25214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(OC2=C1)C(=O)O)C(C3=CN=CC=C3)O

Isomeric SMILES

C1=CC(=C2C=C(OC2=C1)C(=O)O)C(C3=CN=CC=C3)O

InChI

InChI=1S/C15H11NO4/c17-14(9-3-2-6-16-8-9)10-4-1-5-12-11(10)7-13(20-12)15(18)19/h1-8,14,17H,(H,18,19)