7-methoxy-3-oxidanyl-5-(pyridin-3-ylmethyl)-3H-1-benzofuran-2,2-dicarboxylic acid

Systemtic Name: 7-methoxy-3-oxidanyl-5-(pyridin-3-ylmethyl)-3H-1-benzofuran-2,2-dicarboxylic acid Openeye Name: 3-hydroxy-7-methoxy-5-(3-pyridylmethyl)-3H-benzofuran-2,2-dicarboxylic acid CAS Name: 3-hydroxy-7-methoxy-5-(3-pyridinylmethyl)-3H-benzofuran-2,2-dicarboxylic acid IUPAC Name: 3-hydroxy-7-methoxy-5-(pyridin-3-ylmethyl)-3H-1-benzofuran-2,2-dicarboxylic acid Traditional Name: 3-hydroxy-7-methoxy-5-(3-pyridylmethyl)coumaran-2,2-dicarboxylic acid Formula: C17H15NO7 MolecularWeight: 345.3035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)CC3=CN=CC=C3)C(C(O2)(C(=O)O)C(=O)O)O

Isomeric SMILES

COC1=C2C(=CC(=C1)CC3=CN=CC=C3)C(C(O2)(C(=O)O)C(=O)O)O

InChI

InChI=1S/C17H15NO7/c1-24-12-7-10(5-9-3-2-4-18-8-9)6-11-13(12)25-17(14(11)19,15(20)21)16(22)23/h2-4,6-8,14,19H,5H2,1H3,(H,20,21)(H,22,23)