3-oxidanylidene-3-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C7H6F3N3O2 MolecularWeight: 221.13665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6F3N3O2/c8-7(9,10)6(15)2-4-12-13(6)5(14)1-3-11/h4,15H,1-2H2/t6-/m0/s1