3-tert-butyl-5-chloranyl-1-(2,4-dimethylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-5-chloranyl-1-(2,4-dimethylphenyl)pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-(2,4-dimethylphenyl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-(2,4-dimethylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-(2,4-dimethylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-(2,4-dimethylphenyl)pyrazole-4-carboxylic acid Formula: C16H19ClN2O2 MolecularWeight: 306.78726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C(C)(C)C)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C(C)(C)C)C(=O)O)Cl)C

InChI

InChI=1S/C16H19ClN2O2/c1-9-6-7-11(10(2)8-9)19-14(17)12(15(20)21)13(18-19)16(3,4)5/h6-8H,1-5H3,(H,20,21)