5-tert-butyl-1-(4-fluoranyl-2-methyl-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-fluoranyl-2-methyl-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-fluoro-2-methyl-phenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-(4-fluoro-2-methylphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(4-fluoro-2-methylphenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-(4-fluoro-2-methyl-phenyl)triazole-4-carboxylic acid Formula: C14H16FN3O2 MolecularWeight: 277.294143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16FN3O2/c1-8-7-9(15)5-6-10(8)18-12(14(2,3)4)11(13(19)20)16-17-18/h5-7H,1-4H3,(H,19,20)