2-[4-(hydroxymethyl)-1,3-benzodioxol-5-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(hydroxymethyl)-1,3-benzodioxol-5-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-(hydroxymethyl)-1,3-benzodioxol-5-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-(hydroxymethyl)-1,3-benzodioxol-5-yl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(hydroxymethyl)-1,3-benzodioxol-5-yl]pyridine-3-carboxylic acid Traditional Name: 2-(4-methylol-1,3-benzodioxol-5-yl)nicotinic acid Formula: C14H11NO5 MolecularWeight: 273.24084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)C3=C(C=CC=N3)C(=O)O)CO

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)C3=C(C=CC=N3)C(=O)O)CO

InChI

InChI=1S/C14H11NO5/c16-6-10-8(3-4-11-13(10)20-7-19-11)12-9(14(17)18)2-1-5-15-12/h1-5,16H,6-7H2,(H,17,18)