1-[3,5-bis[bis(fluoranyl)methyl]-5-oxidanyl-4H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[3,5-bis[bis(fluoranyl)methyl]-5-oxidanyl-4H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[3,5-bis(difluoromethyl)-5-hydroxy-2-pyrazolin-1-yl]-2-(2-nitrophenoxy)ethanone Formula: C13H11F4N3O5 MolecularWeight: 365.237153

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)F)O)C(=O)COC2=CC=CC=C2[N+](=O)[O-])C(F)F

Isomeric SMILES

C1C(=NN(C1(C(F)F)O)C(=O)COC2=CC=CC=C2[N+](=O)[O-])C(F)F

InChI

InChI=1S/C13H11F4N3O5/c14-11(15)7-5-13(22,12(16)17)19(18-7)10(21)6-25-9-4-2-1-3-8(9)20(23)24/h1-4,11-12,22H,5-6H2