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

Systemtic Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoic acid Openeye Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoic acid CAS Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoic acid IUPAC Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoic acid Traditional Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]benzoic acid Formula: C10H10N4O2 MolecularWeight: 218.212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NN2)C(=O)O

InChI

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