ethyl 5-[1,1-bis(fluoranyl)ethyl]-5-oxidanyl-3-phenyl-4H-pyrazole-1-carboxylate

Systemtic Name: ethyl 5-[1,1-bis(fluoranyl)ethyl]-5-oxidanyl-3-phenyl-4H-pyrazole-1-carboxylate Openeye Name: ethyl 5-(1,1-difluoroethyl)-5-hydroxy-3-phenyl-4H-pyrazole-1-carboxylate CAS Name: 5-(1,1-difluoroethyl)-5-hydroxy-3-phenyl-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,1-difluoroethyl)-5-hydroxy-3-phenyl-4H-pyrazole-1-carboxylate Traditional Name: 5-(1,1-difluoroethyl)-5-hydroxy-3-phenyl-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C14H16F2N2O3 MolecularWeight: 298.285246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C(C)(F)F)O

Isomeric SMILES

CCOC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C(C)(F)F)O

InChI

InChI=1S/C14H16F2N2O3/c1-3-21-12(19)18-14(20,13(2,15)16)9-11(17-18)10-7-5-4-6-8-10/h4-8,20H,3,9H2,1-2H3