(1R,5R,6S)-6-methyl-6-nitro-5-oxidanyl-bicyclo[3.2.1]octan-8-one

Systemtic Name: (1R,5R,6S)-6-methyl-6-nitro-5-oxidanyl-bicyclo[3.2.1]octan-8-one Openeye Name: (1R,5R,6S)-5-hydroxy-6-methyl-6-nitro-bicyclo[3.2.1]octan-8-one CAS Name: (1R,5R,6S)-5-hydroxy-6-methyl-6-nitro-8-bicyclo[3.2.1]octanone IUPAC Name: (1R,5R,6S)-5-hydroxy-6-methyl-6-nitrobicyclo[3.2.1]octan-8-one Traditional Name: (1R,5R,6S)-5-hydroxy-6-methyl-6-nitro-bicyclo[3.2.1]octan-8-one Formula: C9H13NO4 MolecularWeight: 199.20382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CCCC1(C2=O)O)[N+](=O)[O-]

Isomeric SMILES

C[C@@]1(C[C@H]2CCC[C@@]1(C2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H13NO4/c1-8(10(13)14)5-6-3-2-4-9(8,12)7(6)11/h6,12H,2-5H2,1H3/t6-,8+,9+/m1/s1