[2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester Formula: C21H28N2O7 MolecularWeight: 420.45622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C)C

InChI

InChI=1S/C21H28N2O7/c1-20(2)8-13-9-21(3,11-20)12-22(13)18(24)10-30-19(25)14-6-16(28-4)17(29-5)7-15(14)23(26)27/h6-7,13H,8-12H2,1-5H3