2-[3-[(1R,2R)-2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenoxy]carbonyl-4-nitro-phenolate

Systemtic Name: 2-[3-[(1R,2R)-2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenoxy]carbonyl-4-nitro-phenolate Openeye Name: 2-[3-[(1R,2R)-2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenoxy]carbonyl-4-nitro-phenolate CAS Name: 2-[[3-[(1R,2R)-2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenoxy]-oxomethyl]-4-nitrophenolate IUPAC Name: 2-[3-[(1R,2R)-2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenoxy]carbonyl-4-nitrophenolate Traditional Name: 2-[3-[(1R,2R)-2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenoxy]carbonyl-4-nitro-phenolate Formula: C22H25N2O6- MolecularWeight: 413.4437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])O

Isomeric SMILES

CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])O

InChI

InChI=1S/C22H26N2O6/c1-23(2)14-16-6-3-4-11-22(16,27)15-7-5-8-18(12-15)30-21(26)19-13-17(24(28)29)9-10-20(19)25/h5,7-10,12-13,16,25,27H,3-4,6,11,14H2,1-2H3/p-1/t16-,22+/m1/s1