[(2S)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H16Cl2N2O3 MolecularWeight: 403.25864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O3/c1-12-17(19(22)24(23-12)16-9-4-3-5-10-16)20(26)27-13(2)18(25)14-7-6-8-15(21)11-14/h3-11,13H,1-2H3/t13-/m0/s1