2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CC(=O)O

InChI

InChI=1S/C14H17N3O2/c1-14(2,3)10-6-4-9(5-7-10)13-15-11(16-17-13)8-12(18)19/h4-7H,8H2,1-3H3,(H,18,19)(H,15,16,17)