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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NN=C2)C(=O)O

InChI

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