5-(1,3-benzodioxol-5-yl)pyridine-3-carboxylate

Systemtic Name: 5-(1,3-benzodioxol-5-yl)pyridine-3-carboxylate Openeye Name: 5-(1,3-benzodioxol-5-yl)pyridine-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-3-pyridinecarboxylate IUPAC Name: 5-(1,3-benzodioxol-5-yl)pyridine-3-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)nicotinate Formula: C13H8NO4- MolecularWeight: 242.20692

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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)/p-1