4-[2-oxidanylidene-2-[5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanylidene-2-[5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[5-hydroxy-3-propyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]benzonitrile Formula: C16H16F3N3O3 MolecularWeight: 355.31175

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H16F3N3O3/c1-2-3-12-8-15(24,16(17,18)19)22(21-12)14(23)10-25-13-6-4-11(9-20)5-7-13/h4-7,24H,2-3,8,10H2,1H3