3-(imidazol-1-ylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 3-(imidazol-1-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 3-(imidazol-1-ylmethyl)benzofuran-2-carboxylate CAS Name: 3-(1-imidazolylmethyl)-2-benzofurancarboxylate IUPAC Name: 3-(imidazol-1-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(imidazol-1-ylmethyl)coumarilate Formula: C13H9N2O3- MolecularWeight: 241.22216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)[O-])CN3C=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)[O-])CN3C=CN=C3

InChI

InChI=1S/C13H10N2O3/c16-13(17)12-10(7-15-6-5-14-8-15)9-3-1-2-4-11(9)18-12/h1-6,8H,7H2,(H,16,17)/p-1