sodium 5-[(pyridin-3-ylamino)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: sodium 5-[(pyridin-3-ylamino)methyl]-1-benzofuran-2-carboxylate Openeye Name: sodium 5-[(3-pyridylamino)methyl]benzofuran-2-carboxylate CAS Name: sodium 5-[(3-pyridinylamino)methyl]-2-benzofurancarboxylate IUPAC Name: sodium 5-[(pyridin-3-ylamino)methyl]-1-benzofuran-2-carboxylate Traditional Name: sodium 5-[(3-pyridylamino)methyl]coumarilate Formula: C15H11N2NaO3 MolecularWeight: 290.24921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NCC2=CC3=C(C=C2)OC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CN=C1)NCC2=CC3=C(C=C2)OC(=C3)C(=O)[O-].[Na+]

InChI

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