3-(1H-1,2,4-triazol-5-yl)benzoic acid

Systemtic Name: 3-(1H-1,2,4-triazol-5-yl)benzoic acid Openeye Name: 3-(1H-1,2,4-triazol-5-yl)benzoic acid CAS Name: 3-(1H-1,2,4-triazol-5-yl)benzoic acid IUPAC Name: 3-(1H-1,2,4-triazol-5-yl)benzoic acid Traditional Name: 3-(1H-1,2,4-triazol-5-yl)benzoic acid Formula: C9H7N3O2 MolecularWeight: 189.17078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NC=NN2

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NC=NN2

InChI

InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-6(4-7)8-10-5-11-12-8/h1-5H,(H,13,14)(H,10,11,12)