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

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OC2CCOC2=O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)O[C@H]2CCOC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-14(2)9-4-3-8(7-10(9)15(18)19)12(16)21-11-5-6-20-13(11)17/h3-4,7,11H,5-6H2,1-2H3/t11-/m0/s1