[(1S)-2-oxidanylidenecyclohexyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H16ClFN2O3 MolecularWeight: 350.771943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC2CCCCC2=O)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H]2CCCCC2=O)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16ClFN2O3/c1-10-15(17(23)24-14-5-3-2-4-13(14)22)16(18)21(20-10)12-8-6-11(19)7-9-12/h6-9,14H,2-5H2,1H3/t14-/m0/s1