methyl (E)-2-cyano-2-ethyl-3,5-dimethyl-hex-3-enoate

Systemtic Name: methyl (E)-2-cyano-2-ethyl-3,5-dimethyl-hex-3-enoate Openeye Name: methyl (E)-2-cyano-2-ethyl-3,5-dimethyl-hex-3-enoate CAS Name: (E)-2-cyano-2-ethyl-3,5-dimethyl-3-hexenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-2-ethyl-3,5-dimethylhex-3-enoate Traditional Name: (E)-2-cyano-2-ethyl-3,5-dimethyl-hex-3-enoic acid methyl ester Formula: C12H19NO2 MolecularWeight: 209.28476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2/c1-6-12(8-13,11(14)15-5)10(4)7-9(2)3/h7,9H,6H2,1-5H3/b10-7+