4-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-1H-pyrrole-3-carbonitrile

Systemtic Name: 4-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-1H-pyrrole-3-carbonitrile Openeye Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile CAS Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile Traditional Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile Formula: C12H6F2N2O2 MolecularWeight: 251.163011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N

Isomeric SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)[13C]3=CNC=[13C]3[13C]#N

InChI

InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H/i4+1,7+1,9+1