[(3S)-1-azabicyclo[2.2.2]octan-3-yl] 3-nitrobenzoate

Systemtic Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 3-nitrobenzoate Openeye Name: [(3S)-quinuclidin-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(3S)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(3S)-quinuclidin-3-yl] ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1[C@@H](C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O4/c17-14(11-2-1-3-12(8-11)16(18)19)20-13-9-15-6-4-10(13)5-7-15/h1-3,8,10,13H,4-7,9H2/t13-/m1/s1