3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]pentanenitrile

Systemtic Name: 3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]pentanenitrile Openeye Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pentanenitrile CAS Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pentanenitrile IUPAC Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pentanenitrile Traditional Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]valeronitrile Formula: C12H12F2N2O2 MolecularWeight: 254.232686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=CC2=C(C=C1)OC(O2)(F)F

Isomeric SMILES

CCC(CC#N)NC1=CC2=C(C=C1)OC(O2)(F)F

InChI

InChI=1S/C12H12F2N2O2/c1-2-8(5-6-15)16-9-3-4-10-11(7-9)18-12(13,14)17-10/h3-4,7-8,16H,2,5H2,1H3