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

Systemtic Name: 2-[3-(2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-[3-(o-tolyl)-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-[3-(2-methylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-[3-(2-methylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-[3-(o-tolyl)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C11H11N3O2 MolecularWeight: 217.22394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NNC(=N2)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NNC(=N2)CC(=O)O

InChI

InChI=1S/C11H11N3O2/c1-7-4-2-3-5-8(7)11-12-9(13-14-11)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)(H,12,13,14)