4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-1-ethyl-3-methyl-pyrazole ethanoate

Systemtic Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-1-ethyl-3-methyl-pyrazole ethanoate Openeye Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-1-ethyl-3-methyl-pyrazole acetate CAS Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-1-ethyl-3-methylpyrazole acetate IUPAC Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-1-ethyl-3-methylpyrazole acetate Traditional Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-1-ethyl-3-methyl-pyrazole acetate Formula: C18H15F6N2O2- MolecularWeight: 405.314319

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.CC(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)C#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.CC(=O)[O-]

InChI

InChI=1S/C16H12F6N2.C2H4O2/c1-3-24-9-12(10(2)23-24)5-4-11-6-13(15(17,18)19)8-14(7-11)16(20,21)22;1-2(3)4/h6-9H,3H2,1-2H3;1H3,(H,3,4)/p-1