4-[2-oxidanylidene-2-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanylidene-2-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[(5S)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]benzonitrile Formula: C13H10F3N3O3 MolecularWeight: 313.23201

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NN(C1(C(F)(F)F)O)C(=O)COC2=CC=C(C=C2)C#N

Isomeric SMILES

C1C=NN([C@]1(C(F)(F)F)O)C(=O)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H10F3N3O3/c14-13(15,16)12(21)5-6-18-19(12)11(20)8-22-10-3-1-9(7-17)2-4-10/h1-4,6,21H,5,8H2/t12-/m0/s1