3-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propanoic acid Openeye Name: 3-[3-(p-tolyl)-1,2,4-triazol-1-yl]propanoic acid CAS Name: 3-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propanoic acid IUPAC Name: 3-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propanoic acid Traditional Name: 3-[3-(p-tolyl)-1,2,4-triazol-1-yl]propionic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=N2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=N2)CCC(=O)O

InChI

InChI=1S/C12H13N3O2/c1-9-2-4-10(5-3-9)12-13-8-15(14-12)7-6-11(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)