3-methyl-2-[2,2,3-tris(fluoranyl)-3H-1,4-benzodioxin-6-yl]butanenitrile

Systemtic Name: 3-methyl-2-[2,2,3-tris(fluoranyl)-3H-1,4-benzodioxin-6-yl]butanenitrile Openeye Name: 3-methyl-2-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)butanenitrile CAS Name: 3-methyl-2-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)butanenitrile IUPAC Name: 3-methyl-2-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)butanenitrile Traditional Name: 3-methyl-2-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)butyronitrile Formula: C13H12F3NO2 MolecularWeight: 271.23509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=CC2=C(C=C1)OC(C(O2)F)(F)F

Isomeric SMILES

CC(C)C(C#N)C1=CC2=C(C=C1)OC(C(O2)F)(F)F

InChI

InChI=1S/C13H12F3NO2/c1-7(2)9(6-17)8-3-4-10-11(5-8)18-12(14)13(15,16)19-10/h3-5,7,9,12H,1-2H3