methyl 2-cyano-3-[(E)-2-cyanoethenyl]octanoate

Systemtic Name: methyl 2-cyano-3-[(E)-2-cyanoethenyl]octanoate Openeye Name: methyl 2-cyano-3-[(E)-2-cyanovinyl]octanoate CAS Name: 2-cyano-3-[(E)-2-cyanoethenyl]octanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-[(E)-2-cyanoethenyl]octanoate Traditional Name: (E)-3-amyl-2,5-dicyano-pent-4-enoic acid methyl ester Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC#N)C(C#N)C(=O)OC

Isomeric SMILES

CCCCCC(/C=C/C#N)C(C#N)C(=O)OC

InChI

InChI=1S/C13H18N2O2/c1-3-4-5-7-11(8-6-9-14)12(10-15)13(16)17-2/h6,8,11-12H,3-5,7H2,1-2H3/b8-6+