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

Systemtic Name: sodium 5-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: sodium 5-[(1-oxidopyridin-1-ium-3-yl)methyl]benzofuran-2-carboxylate CAS Name: sodium 5-[(1-oxido-3-pyridin-1-iumyl)methyl]-2-benzofurancarboxylate IUPAC Name: sodium 5-[(1-oxidopyridin-1-ium-3-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: sodium 5-[(1-oxidopyridin-1-ium-3-yl)methyl]coumarilate Formula: C15H10NNaO4 MolecularWeight: 291.23397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO4.Na/c17-15(18)14-8-12-7-10(3-4-13(12)20-14)6-11-2-1-5-16(19)9-11;/h1-5,7-9H,6H2,(H,17,18);/q;+1/p-1