[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C24H16F2N2O3 MolecularWeight: 418.392246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)F)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)F)F)C4=CC=CC=C4

InChI

InChI=1S/C24H16F2N2O3/c25-20-12-11-17(13-21(20)26)22(29)15-31-24(30)19-14-28(18-9-5-2-6-10-18)27-23(19)16-7-3-1-4-8-16/h1-14H,15H2