tert-butyl (2S,3R)-2-cyano-2,3-dimethyl-5-oxidanylidene-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R)-2-cyano-2,3-dimethyl-5-oxidanylidene-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-2-cyano-2,3-dimethyl-5-oxo-pyrrolidine-1-carboxylate CAS Name: (2S,3R)-2-cyano-2,3-dimethyl-5-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-cyano-2,3-dimethyl-5-oxopyrrolidine-1-carboxylate Traditional Name: (2S,3R)-2-cyano-5-keto-2,3-dimethyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C1(C)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1CC(=O)N([C@]1(C)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H18N2O3/c1-8-6-9(15)14(12(8,5)7-13)10(16)17-11(2,3)4/h8H,6H2,1-5H3/t8-,12-/m1/s1