1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-(2-chlorophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxylic acid Formula: C14H15ClN2O2 MolecularWeight: 278.7341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C14H15ClN2O2/c1-14(2,3)17-8-10(13(18)19)12(16-17)9-6-4-5-7-11(9)15/h4-8H,1-3H3,(H,18,19)