(1R,6S)-6-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[5-methyl-3-(trifluoromethyl)pyrazole-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[5-methyl-3-(trifluoromethyl)pyrazole-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[5-methyl-3-(trifluoromethyl)pyrazole-1-carbonyl]cyclohex-3-ene-1-carboxylate Formula: C13H12F3N2O3- MolecularWeight: 301.24119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2CC=CCC2C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H13F3N2O3/c1-7-6-10(13(14,15)16)17-18(7)11(19)8-4-2-3-5-9(8)12(20)21/h2-3,6,8-9H,4-5H2,1H3,(H,20,21)/p-1/t8-,9+/m0/s1