[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-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 [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 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-p-phenetyl-ethyl) ester Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H18ClFN2O4/c1-3-28-17-10-4-14(5-11-17)18(26)12-29-21(27)19-13(2)24-25(20(19)22)16-8-6-15(23)7-9-16/h4-11H,3,12H2,1-2H3