[(3S)-2-oxidanylideneoxolan-3-yl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3CCOC3=O

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O[C@H]3CCOC3=O

InChI

InChI=1S/C17H20N2O6/c1-11-4-7-18(8-5-11)14-3-2-12(19(22)23)10-13(14)16(20)25-15-6-9-24-17(15)21/h2-3,10-11,15H,4-9H2,1H3/t15-/m0/s1