3-(1,2,4-triazol-1-ylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-(1,2,4-triazol-1-ylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(1,2,4-triazol-1-ylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-(1,2,4-triazol-1-ylmethyl)-2-benzofurancarboxylic acid IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-(1,2,4-triazol-1-ylmethyl)coumarilic acid Formula: C12H9N3O3 MolecularWeight: 243.21816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CN3C=NC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CN3C=NC=N3

InChI

InChI=1S/C12H9N3O3/c16-12(17)11-9(5-15-7-13-6-14-15)8-3-1-2-4-10(8)18-11/h1-4,6-7H,5H2,(H,16,17)