2-(3-methylbutyl)-2-[(E)-3-oxidanylidenebut-1-enyl]propanedinitrile

Systemtic Name: 2-(3-methylbutyl)-2-[(E)-3-oxidanylidenebut-1-enyl]propanedinitrile Openeye Name: 2-isopentyl-2-[(E)-3-oxobut-1-enyl]propanedinitrile CAS Name: 2-(3-methylbutyl)-2-[(E)-3-oxobut-1-enyl]propanedinitrile IUPAC Name: 2-(3-methylbutyl)-2-[(E)-3-oxobut-1-enyl]propanedinitrile Traditional Name: 2-isoamyl-2-[(E)-3-ketobut-1-enyl]malononitrile Formula: C12H16N2O MolecularWeight: 204.26824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C=CC(=O)C)(C#N)C#N

Isomeric SMILES

CC(C)CCC(/C=C/C(=O)C)(C#N)C#N

InChI

InChI=1S/C12H16N2O/c1-10(2)4-6-12(8-13,9-14)7-5-11(3)15/h5,7,10H,4,6H2,1-3H3/b7-5+