4-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoate

Systemtic Name: 4-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoate Openeye Name: 4-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoate CAS Name: 4-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoate IUPAC Name: 4-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoate Traditional Name: 4-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoate Formula: C10H9N4O2- MolecularWeight: 217.20406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NN2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NN2)C(=O)[O-]

InChI

InChI=1S/C10H10N4O2/c15-9(16)8-3-1-7(2-4-8)5-11-10-12-6-13-14-10/h1-4,6H,5H2,(H,15,16)(H2,11,12,13,14)/p-1