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

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3CCOC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)O[C@H]3CCOC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O6/c18-14(23-13-5-8-22-15(13)19)10-3-4-11(12(9-10)17(20)21)16-6-1-2-7-16/h3-4,9,13H,1-2,5-8H2/t13-/m0/s1