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

Systemtic Name: 4-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-1-ethanoyl-pyrrole-3-carbonitrile Openeye Name: 1-acetyl-4-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrrole-3-carbonitrile CAS Name: 1-acetyl-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-pyrrolecarbonitrile IUPAC Name: 1-acetyl-4-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrrole-3-carbonitrile Traditional Name: 1-acetyl-4-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrrole-3-carbonitrile Formula: C14H8F2N2O3 MolecularWeight: 290.221726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C(=C1)C2=C3C(=CC=C2)OC(O3)(F)F)C#N

Isomeric SMILES

CC(=O)N1C=C(C(=C1)C2=C3C(=CC=C2)OC(O3)(F)F)C#N

InChI

InChI=1S/C14H8F2N2O3/c1-8(19)18-6-9(5-17)11(7-18)10-3-2-4-12-13(10)21-14(15,16)20-12/h2-4,6-7H,1H3