5-isocyano-2-(trifluoromethyl)-3,3a-dihydropentalene-1,6-dicarbonitrile

Systemtic Name: 5-isocyano-2-(trifluoromethyl)-3,3a-dihydropentalene-1,6-dicarbonitrile Openeye Name: 5-isocyano-2-(trifluoromethyl)-3,3a-dihydropentalene-1,6-dicarbonitrile CAS Name: 5-isocyano-2-(trifluoromethyl)-3,3a-dihydropentalene-1,6-dicarbonitrile IUPAC Name: 5-isocyano-2-(trifluoromethyl)-3,3a-dihydropentalene-1,6-dicarbonitrile Traditional Name: 5-isocyano-2-(trifluoromethyl)-3,3a-dihydropentalene-1,6-dicarbonitrile Formula: C12H4F3N3 MolecularWeight: 247.17547

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2CC(=C(C2=C1C#N)C#N)C(F)(F)F

Isomeric SMILES

[C-]#[N+]C1=CC2CC(=C(C2=C1C#N)C#N)C(F)(F)F

InChI

InChI=1S/C12H4F3N3/c1-18-10-3-6-2-9(12(13,14)15)7(4-16)11(6)8(10)5-17/h3,6H,2H2