ethyl (E)-2-cyano-3-methyl-2-propyl-hex-3-enoate

Systemtic Name: ethyl (E)-2-cyano-3-methyl-2-propyl-hex-3-enoate Openeye Name: ethyl (E)-2-cyano-3-methyl-2-propyl-hex-3-enoate CAS Name: (E)-2-cyano-3-methyl-2-propyl-3-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-methyl-2-propylhex-3-enoate Traditional Name: (E)-2-cyano-3-methyl-2-propyl-hex-3-enoic acid ethyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-5-8-11(4)13(10-14,9-6-2)12(15)16-7-3/h8H,5-7,9H2,1-4H3/b11-8+