methyl 4-bromanyl-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: methyl 4-bromanyl-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: methyl 4-bromo-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-bromo-2-methyl-5-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-bromo-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C13H10BrF3N2O2 MolecularWeight: 363.12991

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC(=CC=C2)C(F)(F)F)Br)C(=O)OC

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC(=CC=C2)C(F)(F)F)Br)C(=O)OC

InChI

InChI=1S/C13H10BrF3N2O2/c1-19-11(12(20)21-2)9(14)10(18-19)7-4-3-5-8(6-7)13(15,16)17/h3-6H,1-2H3