(2S)-2-[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-yl]-4-methyl-pentanenitrile

Systemtic Name: (2S)-2-[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-yl]-4-methyl-pentanenitrile Openeye Name: (2S)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-methyl-pentanenitrile CAS Name: (2S)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-methylpentanenitrile IUPAC Name: (2S)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-methylpentanenitrile Traditional Name: (2S)-2-(4,6-diketo-2,2-dimethyl-1,3-dioxan-5-yl)-4-methyl-valeronitrile Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#N)C1C(=O)OC(OC1=O)(C)C

Isomeric SMILES

CC(C)C[C@H](C#N)C1C(=O)OC(OC1=O)(C)C

InChI

InChI=1S/C12H17NO4/c1-7(2)5-8(6-13)9-10(14)16-12(3,4)17-11(9)15/h7-9H,5H2,1-4H3/t8-/m1/s1