[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClFN2O3 MolecularWeight: 400.830623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)C2=CC=C(C=C2)F)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)F)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H18ClFN2O3/c1-13-18(20(22)25(24-13)12-15-6-4-3-5-7-15)21(27)28-14(2)19(26)16-8-10-17(23)11-9-16/h3-11,14H,12H2,1-2H3/t14-/m1/s1