(3S,4R)-3-ethanoyl-4-ethenyl-3-methyl-heptanedinitrile

Systemtic Name: (3S,4R)-3-ethanoyl-4-ethenyl-3-methyl-heptanedinitrile Openeye Name: (3S,4R)-3-acetyl-3-methyl-4-vinyl-heptanedinitrile CAS Name: (3S,4R)-3-acetyl-4-ethenyl-3-methylheptanedinitrile IUPAC Name: (3S,4R)-3-acetyl-4-ethenyl-3-methylheptanedinitrile Traditional Name: (3S,4R)-3-acetyl-3-methyl-4-vinyl-pimelonitrile Formula: C12H16N2O MolecularWeight: 204.26824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)[C@@](C)(CC#N)[C@H](CCC#N)C=C

InChI

InChI=1S/C12H16N2O/c1-4-11(6-5-8-13)12(3,7-9-14)10(2)15/h4,11H,1,5-7H2,2-3H3/t11-,12+/m0/s1