2-[1-(3,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(3,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]ethanoic acid Openeye Name: 2-[1-(3,4-dimethylphenyl)-5-methyl-triazol-4-yl]acetic acid CAS Name: 2-[1-(3,4-dimethylphenyl)-5-methyl-4-triazolyl]acetic acid IUPAC Name: 2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]acetic acid Traditional Name: 2-[1-(3,4-dimethylphenyl)-5-methyl-triazol-4-yl]acetic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)CC(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)CC(=O)O)C)C

InChI

InChI=1S/C13H15N3O2/c1-8-4-5-11(6-9(8)2)16-10(3)12(14-15-16)7-13(17)18/h4-6H,7H2,1-3H3,(H,17,18)