4-(1H-1,2,4-triazol-5-yl)benzoate

Systemtic Name: 4-(1H-1,2,4-triazol-5-yl)benzoate Openeye Name: 4-(1H-1,2,4-triazol-5-yl)benzoate CAS Name: 4-(1H-1,2,4-triazol-5-yl)benzoate IUPAC Name: 4-(1H-1,2,4-triazol-5-yl)benzoate Traditional Name: 4-(1H-1,2,4-triazol-5-yl)benzoate Formula: C9H6N3O2- MolecularWeight: 188.16284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=NN2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC=NN2)C(=O)[O-]

InChI

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