2-[(6-chloranylpyridin-3-yl)methyl]-5,6,6-tris(fluoranyl)-2-isocyano-hex-5-enenitrile

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methyl]-5,6,6-tris(fluoranyl)-2-isocyano-hex-5-enenitrile Openeye Name: 2-[(6-chloro-3-pyridyl)methyl]-5,6,6-trifluoro-2-isocyano-hex-5-enenitrile CAS Name: 2-[(6-chloro-3-pyridinyl)methyl]-5,6,6-trifluoro-2-isocyano-5-hexenenitrile IUPAC Name: 2-[(6-chloropyridin-3-yl)methyl]-5,6,6-trifluoro-2-isocyanohex-5-enenitrile Traditional Name: 2-[(6-chloro-3-pyridyl)methyl]-5,6,6-trifluoro-2-isocyano-hex-5-enenitrile Formula: C13H9ClF3N3 MolecularWeight: 299.67887

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(CCC(=C(F)F)F)(CC1=CN=C(C=C1)Cl)C#N

Isomeric SMILES

[C-]#[N+]C(CCC(=C(F)F)F)(CC1=CN=C(C=C1)Cl)C#N

InChI

InChI=1S/C13H9ClF3N3/c1-19-13(8-18,5-4-10(15)12(16)17)6-9-2-3-11(14)20-7-9/h2-3,7H,4-6H2