(4,5-dimethoxy-2-nitro-phenyl)methyl 4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C22H23F3N2O7 MolecularWeight: 484.42243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23F3N2O7/c1-32-18-10-14(17(27(30)31)12-19(18)33-2)13-34-20(28)26-8-6-21(29,7-9-26)15-4-3-5-16(11-15)22(23,24)25/h3-5,10-12,29H,6-9,13H2,1-2H3