[(3S)-2-oxidanylideneoxolan-3-yl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3CCOC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O[C@H]3CCOC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c19-15(24-14-6-9-23-16(14)20)11-4-5-12(13(10-11)18(21)22)17-7-2-1-3-8-17/h4-5,10,14H,1-3,6-9H2/t14-/m0/s1