[(1R,2R)-2-[3-(dimethylamino)phenoxy]cyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,2R)-2-[3-(dimethylamino)phenoxy]cyclohexyl] 3,5-dinitrobenzoate Openeye Name: [(1R,2R)-2-[3-(dimethylamino)phenoxy]cyclohexyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,2R)-2-[3-(dimethylamino)phenoxy]cyclohexyl] ester IUPAC Name: [(1R,2R)-2-[3-(dimethylamino)phenoxy]cyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,2R)-2-[3-(dimethylamino)phenoxy]cyclohexyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC=C1)OC2CCCCC2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=CC=C1)O[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7/c1-22(2)15-6-5-7-18(13-15)30-19-8-3-4-9-20(19)31-21(25)14-10-16(23(26)27)12-17(11-14)24(28)29/h5-7,10-13,19-20H,3-4,8-9H2,1-2H3/t19-,20-/m1/s1