4-(2,3,6-trimethoxyphenyl)pyridine-2,3-dicarboxylic acid

Systemtic Name: 4-(2,3,6-trimethoxyphenyl)pyridine-2,3-dicarboxylic acid Openeye Name: 4-(2,3,6-trimethoxyphenyl)pyridine-2,3-dicarboxylic acid CAS Name: 4-(2,3,6-trimethoxyphenyl)pyridine-2,3-dicarboxylic acid IUPAC Name: 4-(2,3,6-trimethoxyphenyl)pyridine-2,3-dicarboxylic acid Traditional Name: 4-(2,3,6-trimethoxyphenyl)quinolinic acid Formula: C16H15NO7 MolecularWeight: 333.2928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)OC)OC)C2=C(C(=NC=C2)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)OC)OC)C2=C(C(=NC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H15NO7/c1-22-9-4-5-10(23-2)14(24-3)11(9)8-6-7-17-13(16(20)21)12(8)15(18)19/h4-7H,1-3H3,(H,18,19)(H,20,21)