5-tert-butyl-1-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-isopropylphenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-(4-propan-2-ylphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(4-propan-2-ylphenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-p-cumenyl-triazole-4-carboxylic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-10(2)11-6-8-12(9-7-11)19-14(16(3,4)5)13(15(20)21)17-18-19/h6-10H,1-5H3,(H,20,21)