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

Systemtic Name: 3-[[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]benzonitrile CAS Name: 3-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]benzonitrile IUPAC Name: 3-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]benzonitrile Traditional Name: 3-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]benzonitrile Formula: C15H10F2N2O2 MolecularWeight: 288.248906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=CC3=C(C=C2)OC(O3)(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=CC3=C(C=C2)OC(O3)(F)F)C#N

InChI

InChI=1S/C15H10F2N2O2/c16-15(17)20-13-5-4-12(7-14(13)21-15)19-9-11-3-1-2-10(6-11)8-18/h1-7,19H,9H2