5-(1,3-benzodioxol-5-yl)pyridine-3-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)pyridine-3-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)pyridine-3-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-pyridinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)pyridine-3-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)nicotinic acid Formula: C13H9NO4 MolecularWeight: 243.21486

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=CN=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=CN=C3)C(=O)O

InChI

InChI=1S/C13H9NO4/c15-13(16)10-3-9(5-14-6-10)8-1-2-11-12(4-8)18-7-17-11/h1-6H,7H2,(H,15,16)