ethyl (E)-2-cyano-3-methyl-2-prop-2-enyl-hex-3-enoate

Systemtic Name: ethyl (E)-2-cyano-3-methyl-2-prop-2-enyl-hex-3-enoate Openeye Name: ethyl (E)-2-allyl-2-cyano-3-methyl-hex-3-enoate CAS Name: (E)-2-cyano-3-methyl-2-prop-2-enyl-3-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-methyl-2-prop-2-enylhex-3-enoate Traditional Name: (E)-2-allyl-2-cyano-3-methyl-hex-3-enoic acid ethyl ester Formula: C13H19NO2 MolecularWeight: 221.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C=C(\C)/C(CC=C)(C#N)C(=O)OCC

InChI

InChI=1S/C13H19NO2/c1-5-8-11(4)13(10-14,9-6-2)12(15)16-7-3/h6,8H,2,5,7,9H2,1,3-4H3/b11-8+