ethyl 2-[(E)-but-2-en-2-yl]-2-cyano-hexanoate

Systemtic Name: ethyl 2-[(E)-but-2-en-2-yl]-2-cyano-hexanoate Openeye Name: ethyl 2-cyano-2-[(E)-1-methylprop-1-enyl]hexanoate CAS Name: 2-[(E)-but-2-en-2-yl]-2-cyanohexanoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-but-2-en-2-yl]-2-cyanohexanoate Traditional Name: (E)-2-butyl-2-cyano-3-methyl-pent-3-enoic acid ethyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#N)(C(=CC)C)C(=O)OCC

Isomeric SMILES

CCCCC(C#N)(/C(=C/C)/C)C(=O)OCC

InChI

InChI=1S/C13H21NO2/c1-5-8-9-13(10-14,11(4)6-2)12(15)16-7-3/h6H,5,7-9H2,1-4H3/b11-6+