2-ethylhexyl (E)-4-cyano-2-methylidene-but-3-enoate

Systemtic Name: 2-ethylhexyl (E)-4-cyano-2-methylidene-but-3-enoate Openeye Name: 2-ethylhexyl (E)-4-cyano-2-methylene-but-3-enoate CAS Name: (E)-4-cyano-2-methylene-3-butenoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (E)-4-cyano-2-methylidenebut-3-enoate Traditional Name: (E)-4-cyano-2-methylene-but-3-enoic acid 2-ethylhexyl ester Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(=C)C=CC#N

Isomeric SMILES

CCCCC(CC)COC(=O)C(=C)/C=C/C#N

InChI

InChI=1S/C14H21NO2/c1-4-6-9-13(5-2)11-17-14(16)12(3)8-7-10-15/h7-8,13H,3-6,9,11H2,1-2H3/b8-7+