methyl 4-chloranyl-2-methyl-5-[3-(trifluoromethyl)phenyl]-3H-pyrazole-1-carboxylate

Systemtic Name: methyl 4-chloranyl-2-methyl-5-[3-(trifluoromethyl)phenyl]-3H-pyrazole-1-carboxylate Openeye Name: methyl 4-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]-3H-pyrazole-1-carboxylate CAS Name: 4-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]-3H-pyrazole-1-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]-3H-pyrazole-1-carboxylate Traditional Name: 4-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]-3-pyrazoline-1-carboxylic acid methyl ester Formula: C13H12ClF3N2O2 MolecularWeight: 320.69479

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=C(N1C(=O)OC)C2=CC(=CC=C2)C(F)(F)F)Cl

Isomeric SMILES

CN1CC(=C(N1C(=O)OC)C2=CC(=CC=C2)C(F)(F)F)Cl

InChI

InChI=1S/C13H12ClF3N2O2/c1-18-7-10(14)11(19(18)12(20)21-2)8-4-3-5-9(6-8)13(15,16)17/h3-6H,7H2,1-2H3