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

Systemtic Name: 1-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]pyrrole-3-carbonitrile Openeye Name: 1-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrrole-3-carbonitrile CAS Name: 1-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-pyrrolecarbonitrile IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrrole-3-carbonitrile Traditional Name: 1-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrrole-3-carbonitrile Formula: C12H6F2N2O2 MolecularWeight: 248.185046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC(O2)(F)F)N3C=CC(=C3)C#N

Isomeric SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)N3C=CC(=C3)C#N

InChI

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