3-(1,2,4-triazol-1-ylmethyl)benzoic acid

Systemtic Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid Openeye Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid CAS Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid Traditional Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid Formula: C10H9N3O2 MolecularWeight: 203.19736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC=N2)C(=O)O

InChI

InChI=1S/C10H9N3O2/c14-10(15)9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)