3-(6-chloranylpyridin-3-yl)-2-isocyano-2-prop-2-enyl-butanedinitrile

Systemtic Name: 3-(6-chloranylpyridin-3-yl)-2-isocyano-2-prop-2-enyl-butanedinitrile Openeye Name: 2-allyl-3-(6-chloro-3-pyridyl)-2-isocyano-butanedinitrile CAS Name: 3-(6-chloro-3-pyridinyl)-2-isocyano-2-prop-2-enylbutanedinitrile IUPAC Name: 3-(6-chloropyridin-3-yl)-2-isocyano-2-prop-2-enylbutanedinitrile Traditional Name: 2-allyl-3-(6-chloro-3-pyridyl)-2-isocyano-succinonitrile Formula: C13H9ClN4 MolecularWeight: 256.69036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN4/c1-3-6-13(9-16,17-2)11(7-15)10-4-5-12(14)18-8-10/h3-5,8,11H,1,6H2