propan-2-yl (E)-2-cyano-2-ethyl-3-methyl-hex-3-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-6-8-11(5)13(7-2,9-14)12(15)16-10(3)4/h8,10H,6-7H2,1-5H3/b11-8+