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

Systemtic Name: 5-cyclopropyl-1-(3,5-dimethylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(3,5-dimethylphenyl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(3,5-dimethylphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(3,5-dimethylphenyl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(3,5-dimethylphenyl)triazole-4-carboxylic acid Formula: C14H15N3O2 MolecularWeight: 257.2878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)O)C3CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)O)C3CC3)C

InChI

InChI=1S/C14H15N3O2/c1-8-5-9(2)7-11(6-8)17-13(10-3-4-10)12(14(18)19)15-16-17/h5-7,10H,3-4H2,1-2H3,(H,18,19)