1-phenyl-1-(1,2,4-triazol-1-ylmethyl)-3H-2-benzofuran-5-carboxylic acid

Systemtic Name: 1-phenyl-1-(1,2,4-triazol-1-ylmethyl)-3H-2-benzofuran-5-carboxylic acid Openeye Name: 1-phenyl-1-(1,2,4-triazol-1-ylmethyl)-3H-isobenzofuran-5-carboxylic acid CAS Name: 1-phenyl-1-(1,2,4-triazol-1-ylmethyl)-3H-isobenzofuran-5-carboxylic acid IUPAC Name: 1-phenyl-1-(1,2,4-triazol-1-ylmethyl)-3H-2-benzofuran-5-carboxylic acid Traditional Name: 1-phenyl-1-(1,2,4-triazol-1-ylmethyl)phthalan-5-carboxylic acid Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)O)C(O1)(CN3C=NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)O)C(O1)(CN3C=NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N3O3/c22-17(23)13-6-7-16-14(8-13)9-24-18(16,10-21-12-19-11-20-21)15-4-2-1-3-5-15/h1-8,11-12H,9-10H2,(H,22,23)