sodium 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: sodium 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: sodium 6-(3-pyridylmethyl)benzofuran-2-carboxylate CAS Name: sodium 6-(3-pyridinylmethyl)-2-benzofurancarboxylate IUPAC Name: sodium 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: sodium 6-(3-pyridylmethyl)coumarilate Formula: C15H10NNaO3 MolecularWeight: 275.23457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC3=C(C=C2)C=C(O3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC3=C(C=C2)C=C(O3)C(=O)[O-].[Na+]

InChI

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