3-(1,2,4-triazol-4-yl)benzoate

Systemtic Name: 3-(1,2,4-triazol-4-yl)benzoate Openeye Name: 3-(1,2,4-triazol-4-yl)benzoate CAS Name: 3-(1,2,4-triazol-4-yl)benzoate IUPAC Name: 3-(1,2,4-triazol-4-yl)benzoate Traditional Name: 3-(1,2,4-triazol-4-yl)benzoate Formula: C9H6N3O2- MolecularWeight: 188.16284

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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)/p-1