tert-butyl N-[(1S,5R,6R)-6-acetamido-3-cyano-5-oxidanyl-cyclohex-3-en-1-yl]carbamate

Systemtic Name: tert-butyl N-[(1S,5R,6R)-6-acetamido-3-cyano-5-oxidanyl-cyclohex-3-en-1-yl]carbamate Openeye Name: tert-butyl N-[(1S,5R,6R)-6-acetamido-3-cyano-5-hydroxy-cyclohex-3-en-1-yl]carbamate CAS Name: N-[(1S,5R,6R)-6-acetamido-3-cyano-5-hydroxy-1-cyclohex-3-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,5R,6R)-6-acetamido-3-cyano-5-hydroxycyclohex-3-en-1-yl]carbamate Traditional Name: N-[(1S,5R,6R)-6-acetamido-3-cyano-5-hydroxy-cyclohex-3-en-1-yl]carbamic acid tert-butyl ester Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1O)C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4/c1-8(18)16-12-10(5-9(7-15)6-11(12)19)17-13(20)21-14(2,3)4/h6,10-12,19H,5H2,1-4H3,(H,16,18)(H,17,20)/t10-,11+,12+/m0/s1