[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C21H16F2N2O3 MolecularWeight: 382.360146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H16F2N2O3/c22-16-9-8-14(10-17(16)23)20(26)12-28-21(27)19-11-18(13-6-7-13)24-25(19)15-4-2-1-3-5-15/h1-5,8-11,13H,6-7,12H2