2-(pyridin-3-ylmethyl)-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 2-(pyridin-3-ylmethyl)-1,4-benzodioxine-3-carboxylic acid Openeye Name: 2-(3-pyridylmethyl)-1,4-benzodioxine-3-carboxylic acid CAS Name: 2-(3-pyridinylmethyl)-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 2-(pyridin-3-ylmethyl)-1,4-benzodioxine-3-carboxylic acid Traditional Name: 2-(3-pyridylmethyl)-1,4-benzodioxin-3-carboxylic acid Formula: C15H11NO4 MolecularWeight: 269.25214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC(=C(O2)C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)OC(=C(O2)C(=O)O)CC3=CN=CC=C3

InChI

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