5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 5-(3-pyridylmethyl)benzofuran-2-carboxylate CAS Name: 5-(3-pyridinylmethyl)-2-benzofurancarboxylate IUPAC Name: 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-(3-pyridylmethyl)coumarilate Formula: C15H10NO3- MolecularWeight: 252.2448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)[O-]

InChI

InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18)/p-1