[2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,5-difluorophenyl)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluorophenyl)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,5-difluorophenyl)-2-keto-ethyl] ester Formula: C18H12F2N2O3 MolecularWeight: 342.296286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H12F2N2O3/c19-12-6-7-14(20)13(8-12)17(23)10-25-18(24)16-9-15(21-22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)