(E)-4-[(1R,2R)-2-azido-2,6,6-trimethyl-1-oxidanyl-cyclohexyl]but-3-en-2-one

Systemtic Name: (E)-4-[(1R,2R)-2-azido-2,6,6-trimethyl-1-oxidanyl-cyclohexyl]but-3-en-2-one Openeye Name: (E)-4-[(1R,2R)-2-azido-1-hydroxy-2,6,6-trimethyl-cyclohexyl]but-3-en-2-one CAS Name: (E)-4-[(1R,2R)-2-azido-1-hydroxy-2,6,6-trimethylcyclohexyl]-3-buten-2-one IUPAC Name: (E)-4-[(1R,2R)-2-azido-1-hydroxy-2,6,6-trimethylcyclohexyl]but-3-en-2-one Traditional Name: (E)-4-[(1R,2R)-2-azido-1-hydroxy-2,6,6-trimethyl-cyclohexyl]but-3-en-2-one Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1(C(CCCC1(C)N=[N+]=[N-])(C)C)O

Isomeric SMILES

CC(=O)/C=C/[C@@]1([C@](CCCC1(C)C)(C)N=[N+]=[N-])O

InChI

InChI=1S/C13H21N3O2/c1-10(17)6-9-13(18)11(2,3)7-5-8-12(13,4)15-16-14/h6,9,18H,5,7-8H2,1-4H3/b9-6+/t12-,13-/m1/s1