tert-butyl 2-cyano-2-[5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-cyano-2-[5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]ethanoate Openeye Name: tert-butyl 2-cyano-2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetate CAS Name: 2-cyano-2-[3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetate Traditional Name: 2-cyano-2-(3,4-dihydroxy-5-methylol-pyrrolidin-2-yl)acetic acid tert-butyl ester Formula: C12H20N2O5 MolecularWeight: 272.2976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C#N)C1C(C(C(N1)CO)O)O

Isomeric SMILES

CC(C)(C)OC(=O)C(C#N)C1C(C(C(N1)CO)O)O

InChI

InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)6(4-13)8-10(17)9(16)7(5-15)14-8/h6-10,14-17H,5H2,1-3H3