2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl]pyridine-3-carboxylic acid Openeye Name: 2-[(3-oxo-1H-isobenzofuran-1-yl)methyl]pyridine-3-carboxylic acid CAS Name: 2-[(3-oxo-1H-isobenzofuran-1-yl)methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3-oxo-1H-2-benzofuran-1-yl)methyl]pyridine-3-carboxylic acid Traditional Name: 2-(phthalidylmethyl)nicotinic acid Formula: C15H11NO4 MolecularWeight: 269.25214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)CC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)CC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C15H11NO4/c17-14(18)11-6-3-7-16-12(11)8-13-9-4-1-2-5-10(9)15(19)20-13/h1-7,13H,8H2,(H,17,18)