5-tert-butyl-1-(4-chlorophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-chlorophenyl)pyrazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-chlorophenyl)pyrazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(4-chlorophenyl)pyrazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-(4-chlorophenyl)pyrazole-4-carboxylic acid Formula: C14H15ClN2O2 MolecularWeight: 278.7341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)O

InChI

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