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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3CCOC3=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)O[C@@H]3CCOC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O6/c1-11-3-2-7-18(10-11)13-5-4-12(9-14(13)19(22)23)16(20)25-15-6-8-24-17(15)21/h4-5,9,11,15H,2-3,6-8,10H2,1H3/t11-,15+/m0/s1