[(1S,2S,3R)-2-nitro-3-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [(1S,2S,3R)-2-nitro-3-oxidanyl-cyclohexyl] ethanoate Openeye Name: [(1S,2S,3R)-3-hydroxy-2-nitro-cyclohexyl] acetate CAS Name: acetic acid [(1S,2S,3R)-3-hydroxy-2-nitrocyclohexyl] ester IUPAC Name: [(1S,2S,3R)-3-hydroxy-2-nitrocyclohexyl] acetate Traditional Name: acetic acid [(1S,2S,3R)-3-hydroxy-2-nitro-cyclohexyl] ester Formula: C8H13NO5 MolecularWeight: 203.19252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(C1[N+](=O)[O-])O

Isomeric SMILES

CC(=O)O[C@H]1CCC[C@H]([C@@H]1[N+](=O)[O-])O

InChI

InChI=1S/C8H13NO5/c1-5(10)14-7-4-2-3-6(11)8(7)9(12)13/h6-8,11H,2-4H2,1H3/t6-,7+,8+/m1/s1