4-ethanoyl-4-prop-1-en-2-yl-heptanedinitrile

Systemtic Name: 4-ethanoyl-4-prop-1-en-2-yl-heptanedinitrile Openeye Name: 4-acetyl-4-isopropenyl-heptanedinitrile CAS Name: 4-acetyl-4-(1-methylethenyl)heptanedinitrile IUPAC Name: 4-acetyl-4-prop-1-en-2-ylheptanedinitrile Traditional Name: 4-acetyl-4-isopropenyl-pimelonitrile Formula: C12H16N2O MolecularWeight: 204.26824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O/c1-10(2)12(11(3)15,6-4-8-13)7-5-9-14/h1,4-7H2,2-3H3