3-tert-butyl-5-chloranyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-5-chloranyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-methyl-pyrazole-4-carboxylic acid Formula: C9H13ClN2O2 MolecularWeight: 216.66472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C

InChI

InChI=1S/C9H13ClN2O2/c1-9(2,3)6-5(8(13)14)7(10)12(4)11-6/h1-4H3,(H,13,14)