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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])N2C=NN=C2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N2C=NN=C2

InChI

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