anthracene-9,10-dione; 4-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-1H-pyrrole-3-carbonitrile

Systemtic Name: anthracene-9,10-dione; 4-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-1H-pyrrole-3-carbonitrile Openeye Name: anthracene-9,10-dione; 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile CAS Name: anthracene-9,10-dione; 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile IUPAC Name: anthracene-9,10-dione; 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile Traditional Name: 9,10-anthraquinone; 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile Formula: C26H14F2N2O4 MolecularWeight: 456.397166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O.C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O.C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N

InChI

InChI=1S/C14H8O2.C12H6F2N2O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-8H;1-3,5-6,16H