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

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(benzofuran-2-yl)-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-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-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-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C21H14ClFN2O4 MolecularWeight: 412.798263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC3=CC=CC=C3O2)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC3=CC=CC=C3O2)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H14ClFN2O4/c1-12-19(20(22)25(24-12)15-8-6-14(23)7-9-15)21(27)28-11-16(26)18-10-13-4-2-3-5-17(13)29-18/h2-10H,11H2,1H3