propan-2-yl (2S)-2-cyano-2-methyl-5-oxidanylidene-heptanoate

Systemtic Name: propan-2-yl (2S)-2-cyano-2-methyl-5-oxidanylidene-heptanoate Openeye Name: isopropyl (2S)-2-cyano-2-methyl-5-oxo-heptanoate CAS Name: (2S)-2-cyano-2-methyl-5-oxoheptanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-cyano-2-methyl-5-oxoheptanoate Traditional Name: (2S)-2-cyano-5-keto-2-methyl-enanthic acid isopropyl ester Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)CC[C@@](C)(C#N)C(=O)OC(C)C

InChI

InChI=1S/C12H19NO3/c1-5-10(14)6-7-12(4,8-13)11(15)16-9(2)3/h9H,5-7H2,1-4H3/t12-/m0/s1