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

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C12H12N2O6 MolecularWeight: 280.23348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OC2CCOC2=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)O[C@H]2CCOC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6/c1-13-8-3-2-7(6-9(8)14(17)18)11(15)20-10-4-5-19-12(10)16/h2-3,6,10,13H,4-5H2,1H3/t10-/m0/s1