4-nitro-2-[[(2R)-3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]phenolate

Systemtic Name: 4-nitro-2-[[(2R)-3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]phenolate Openeye Name: 4-nitro-2-[[(2R)-3-oxoquinuclidin-1-ium-2-yl]methyl]phenolate CAS Name: 4-nitro-2-[[(2R)-3-oxo-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]phenolate IUPAC Name: 4-nitro-2-[[(2R)-3-oxo-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]phenolate Traditional Name: 2-[[(2R)-3-ketoquinuclidin-1-ium-2-yl]methyl]-4-nitro-phenolate Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=O)C2CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[NH+]2CCC1C(=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