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

Systemtic Name: [2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic 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-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-keto-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester Formula: C25H27ClN2O6 MolecularWeight: 486.94468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-])C)C

InChI

InChI=1S/C25H27ClN2O6/c1-24(2)11-18-12-25(3,14-24)15-27(18)22(29)13-33-23(30)16-4-7-19(8-5-16)34-21-9-6-17(26)10-20(21)28(31)32/h4-10,18H,11-15H2,1-3H3