3-(tert-butylcarbamoyl)-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(tert-butylcarbamoyl)-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(tert-butylcarbamoyl)-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[(tert-butylamino)-oxomethyl]-1-(4-chlorophenyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(tert-butylcarbamoyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 3-(tert-butylcarbamoyl)-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxylic acid Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C(=O)NC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C(=O)NC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H18ClN3O3/c1-9-12(15(22)23)13(14(21)18-16(2,3)4)19-20(9)11-7-5-10(17)6-8-11/h5-8H,1-4H3,(H,18,21)(H,22,23)