sodium 5-[(4-chloranylpyridin-3-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: sodium 5-[(4-chloranylpyridin-3-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: sodium 5-[(4-chloro-3-pyridyl)methyl]benzofuran-2-carboxylate CAS Name: sodium 5-[(4-chloro-3-pyridinyl)methyl]-2-benzofurancarboxylate IUPAC Name: sodium 5-[(4-chloropyridin-3-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: sodium 5-[(4-chloro-3-pyridyl)methyl]coumarilate Formula: C15H9ClNNaO3 MolecularWeight: 309.67963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC3=C(C=CN=C3)Cl)C=C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1CC3=C(C=CN=C3)Cl)C=C(O2)C(=O)[O-].[Na+]

InChI

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