ethyl 2-(2-nitroethyl)-1-azabicyclo[2.2.2]octane-2-carboxylate

Systemtic Name: ethyl 2-(2-nitroethyl)-1-azabicyclo[2.2.2]octane-2-carboxylate Openeye Name: ethyl 2-(2-nitroethyl)quinuclidine-2-carboxylate CAS Name: 2-(2-nitroethyl)-1-azabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-nitroethyl)-1-azabicyclo[2.2.2]octane-2-carboxylate Traditional Name: 2-(2-nitroethyl)quinuclidine-2-carboxylic acid ethyl ester Formula: C12H20N2O4 MolecularWeight: 256.2982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2CCN1CC2)CC[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1(CC2CCN1CC2)CC[N+](=O)[O-]

InChI

InChI=1S/C12H20N2O4/c1-2-18-11(15)12(5-8-14(16)17)9-10-3-6-13(12)7-4-10/h10H,2-9H2,1H3