tert-butyl 2-cyano-2-methyl-5-oxidanylidene-hexanoate

Systemtic Name: tert-butyl 2-cyano-2-methyl-5-oxidanylidene-hexanoate Openeye Name: tert-butyl 2-cyano-2-methyl-5-oxo-hexanoate CAS Name: 2-cyano-2-methyl-5-oxohexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-methyl-5-oxohexanoate Traditional Name: 2-cyano-5-keto-2-methyl-hexanoic acid tert-butyl ester Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3/c1-9(14)6-7-12(5,8-13)10(15)16-11(2,3)4/h6-7H2,1-5H3