4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)amino]benzoic acid

Systemtic Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)amino]benzoic acid Openeye Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)amino]benzoic acid CAS Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)amino]benzoic acid IUPAC Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)amino]benzoic acid Traditional Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)amino]benzoic acid Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H16N4O2/c1-13(2,3)11-15-12(17-16-11)14-9-6-4-8(5-7-9)10(18)19/h4-7H,1-3H3,(H,18,19)(H2,14,15,16,17)