(2R)-2-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: (2R)-2-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: (2R)-2-[(2-hydroxy-5-nitro-phenyl)methyl]quinuclidin-3-one CAS Name: (2R)-2-[(2-hydroxy-5-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: (2R)-2-[(2-hydroxy-5-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: (2R)-2-(2-hydroxy-5-nitro-benzyl)quinuclidin-3-one Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CN2CCC1C(=O)[C@H]2CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H16N2O4/c17-13-2-1-11(16(19)20)7-10(13)8-12-14(18)9-3-5-15(12)6-4-9/h1-2,7,9,12,17H,3-6,8H2/t12-/m1/s1