1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-5-isopropyl-triazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-5-propan-2-yl-4-triazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-5-propan-2-yltriazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-5-isopropyl-triazole-4-carboxylic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-8(2)13-12(14(18)19)15-16-17(13)11-6-5-9(3)10(4)7-11/h5-8H,1-4H3,(H,18,19)