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

Systemtic Name: sodium 7-bromanyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: sodium 7-bromo-5-(3-pyridylmethyl)benzofuran-2-carboxylate CAS Name: sodium 7-bromo-5-(3-pyridinylmethyl)-2-benzofurancarboxylate IUPAC Name: sodium 7-bromo-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: sodium 7-bromo-5-(3-pyridylmethyl)coumarilate Formula: C15H9BrNNaO3 MolecularWeight: 354.13063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC(=C3C(=C2)C=C(O3)C(=O)[O-])Br.[Na+]

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC(=C3C(=C2)C=C(O3)C(=O)[O-])Br.[Na+]

InChI

InChI=1S/C15H10BrNO3.Na/c16-12-6-10(4-9-2-1-3-17-8-9)5-11-7-13(15(18)19)20-14(11)12;/h1-3,5-8H,4H2,(H,18,19);/q;+1/p-1