[3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] 5-nitro-2-oxidanyl-benzoate

Systemtic Name: [3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] 5-nitro-2-oxidanyl-benzoate Openeye Name: [3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid [3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] ester IUPAC Name: [3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid [3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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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)CC1CCCCC1(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