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

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN2O4/c1-12-18(20(22)25(24-12)16-8-6-15(23)7-9-16)21(27)29-13(2)19(26)14-4-10-17(28-3)11-5-14/h4-11,13H,1-3H3