sodium 5-[(2-chloranylpyridin-3-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: sodium 5-[(2-chloranylpyridin-3-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: sodium 5-[(2-chloro-3-pyridyl)methyl]benzofuran-2-carboxylate CAS Name: sodium 5-[(2-chloro-3-pyridinyl)methyl]-2-benzofurancarboxylate IUPAC Name: sodium 5-[(2-chloropyridin-3-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: sodium 5-[(2-chloro-3-pyridyl)methyl]coumarilate Formula: C15H9ClNNaO3 MolecularWeight: 309.67963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)Cl)CC2=CC3=C(C=C2)OC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(N=C1)Cl)CC2=CC3=C(C=C2)OC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H10ClNO3.Na/c16-14-10(2-1-5-17-14)6-9-3-4-12-11(7-9)8-13(20-12)15(18)19;/h1-5,7-8H,6H2,(H,18,19);/q;+1/p-1