5-azanyl-1-[1,1,3,3,6-pentakis(fluoranyl)-2-benzofuran-5-yl]pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[1,1,3,3,6-pentakis(fluoranyl)-2-benzofuran-5-yl]pyrazole-3-carbonitrile Openeye Name: 5-amino-1-(1,1,3,3,6-pentafluoroisobenzofuran-5-yl)pyrazole-3-carbonitrile CAS Name: 5-amino-1-(1,1,3,3,6-pentafluoro-5-isobenzofuranyl)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,1,3,3,6-pentafluoro-2-benzofuran-5-yl)pyrazole-3-carbonitrile Traditional Name: 5-amino-1-(1,1,3,3,6-pentafluorophthalan-5-yl)pyrazole-3-carbonitrile Formula: C12H5F5N4O MolecularWeight: 316.186316

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1N3C(=CC(=N3)C#N)N)F)C(OC2(F)F)(F)F

Isomeric SMILES

C1=C2C(=CC(=C1N3C(=CC(=N3)C#N)N)F)C(OC2(F)F)(F)F

InChI

InChI=1S/C12H5F5N4O/c13-8-2-6-7(12(16,17)22-11(6,14)15)3-9(8)21-10(19)1-5(4-18)20-21/h1-3H,19H2