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

Systemtic Name: methyl (E)-2-cyano-2-methyl-3-propyl-hex-3-enoate Openeye Name: methyl (E)-2-cyano-2-methyl-3-propyl-hex-3-enoate CAS Name: (E)-2-cyano-2-methyl-3-propyl-3-hexenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-2-methyl-3-propylhex-3-enoate Traditional Name: (E)-2-cyano-2-methyl-3-propyl-hex-3-enoic acid methyl ester Formula: C12H19NO2 MolecularWeight: 209.28476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C(=C\CC)/C(C)(C#N)C(=O)OC

InChI

InChI=1S/C12H19NO2/c1-5-7-10(8-6-2)12(3,9-13)11(14)15-4/h7H,5-6,8H2,1-4H3/b10-7+