tert-butyl (1S,4S,5R)-5-isocyanato-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: tert-butyl (1S,4S,5R)-5-isocyanato-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: tert-butyl (1S,4S,5R)-5-isocyanato-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1S,4S,5R)-5-isocyanato-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4S,5R)-5-isocyanato-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1S,4S,5R)-5-isocyanato-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester Formula: C11H16N2O3 MolecularWeight: 224.25634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1C2N=C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2N=C=O

InChI

InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-5-7-4-8(13)9(7)12-6-14/h7-9H,4-5H2,1-3H3/t7-,8-,9+/m0/s1