tert-butyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylate

Systemtic Name: tert-butyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylate Openeye Name: tert-butyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid tert-butyl ester Formula: C21H19Cl3N2O2 MolecularWeight: 437.74676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)OC(C)(C)C)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(N(N=C1C(=O)OC(C)(C)C)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19Cl3N2O2/c1-12-18(20(27)28-21(2,3)4)25-26(17-10-9-15(23)11-16(17)24)19(12)13-5-7-14(22)8-6-13/h5-11H,1-4H3