sodium 7-methyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: sodium 7-methyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: sodium 7-methyl-5-(3-pyridylmethyl)benzofuran-2-carboxylate CAS Name: sodium 7-methyl-5-(3-pyridinylmethyl)-2-benzofurancarboxylate IUPAC Name: sodium 7-methyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: sodium 7-methyl-5-(3-pyridylmethyl)coumarilate Formula: C16H12NNaO3 MolecularWeight: 289.26115

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC3=CN=CC=C3)C=C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C2C(=CC(=C1)CC3=CN=CC=C3)C=C(O2)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H13NO3.Na/c1-10-5-12(6-11-3-2-4-17-9-11)7-13-8-14(16(18)19)20-15(10)13;/h2-5,7-9H,6H2,1H3,(H,18,19);/q;+1/p-1