methyl (2E)-3-acetyloxy-2-(cyanomethylidene)-4-methyl-pentanoate

Systemtic Name: methyl (2E)-3-acetyloxy-2-(cyanomethylidene)-4-methyl-pentanoate Openeye Name: methyl (2E)-3-acetoxy-2-(cyanomethylene)-4-methyl-pentanoate CAS Name: (2E)-3-acetyloxy-2-(cyanomethylidene)-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2E)-3-acetyloxy-2-(cyanomethylidene)-4-methylpentanoate Traditional Name: (E)-2-(1-acetoxy-2-methyl-propyl)-3-cyano-acrylic acid methyl ester Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4/c1-7(2)10(16-8(3)13)9(5-6-12)11(14)15-4/h5,7,10H,1-4H3/b9-5+