2-nitrobicyclo[2.2.2]octane-4-carboxylic acid

Systemtic Name: 2-nitrobicyclo[2.2.2]octane-4-carboxylic acid Openeye Name: 2-nitrobicyclo[2.2.2]octane-4-carboxylic acid CAS Name: 2-nitro-4-bicyclo[2.2.2]octanecarboxylic acid IUPAC Name: 2-nitrobicyclo[2.2.2]octane-4-carboxylic acid Traditional Name: 2-nitrobicyclo[2.2.2]octane-4-carboxylic acid Formula: C9H13NO4 MolecularWeight: 199.20382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C(C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC2(CCC1C(C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H13NO4/c11-8(12)9-3-1-6(2-4-9)7(5-9)10(13)14/h6-7H,1-5H2,(H,11,12)