2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)carbonyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)carbonyl]pyridine-3-carboxylic acid Openeye Name: 2-(2,2-dimethyl-1,3-benzodioxole-5-carbonyl)pyridine-3-carboxylic acid CAS Name: 2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(2,2-dimethyl-1,3-benzodioxole-5-carbonyl)pyridine-3-carboxylic acid Traditional Name: 2-(2,2-dimethylpiperonyloyl)nicotinic acid Formula: C16H13NO5 MolecularWeight: 299.27812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)C(=O)C3=C(C=CC=N3)C(=O)O)C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)C(=O)C3=C(C=CC=N3)C(=O)O)C

InChI

InChI=1S/C16H13NO5/c1-16(2)21-11-6-5-9(8-12(11)22-16)14(18)13-10(15(19)20)4-3-7-17-13/h3-8H,1-2H3,(H,19,20)