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

Systemtic Name: ethyl 4-bromanyl-5-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-5-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-bromo-5-ethyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-bromo-5-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C15H14BrF3N2O2 MolecularWeight: 391.18307

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1Br)C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC1=NN(C(=C1Br)C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H14BrF3N2O2/c1-3-11-12(16)13(14(22)23-4-2)21(20-11)10-7-5-9(6-8-10)15(17,18)19/h5-8H,3-4H2,1-2H3