sodium 4-[(pyridin-3-ylamino)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: sodium 4-[(pyridin-3-ylamino)methyl]-1-benzofuran-2-carboxylate Openeye Name: sodium 4-[(3-pyridylamino)methyl]benzofuran-2-carboxylate CAS Name: sodium 4-[(3-pyridinylamino)methyl]-2-benzofurancarboxylate IUPAC Name: sodium 4-[(pyridin-3-ylamino)methyl]-1-benzofuran-2-carboxylate Traditional Name: sodium 4-[(3-pyridylamino)methyl]coumarilate Formula: C15H11N2NaO3 MolecularWeight: 290.24921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(OC2=C1)C(=O)[O-])CNC3=CN=CC=C3.[Na+]

Isomeric SMILES

C1=CC(=C2C=C(OC2=C1)C(=O)[O-])CNC3=CN=CC=C3.[Na+]

InChI

InChI=1S/C15H12N2O3.Na/c18-15(19)14-7-12-10(3-1-5-13(12)20-14)8-17-11-4-2-6-16-9-11;/h1-7,9,17H,8H2,(H,18,19);/q;+1/p-1