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

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C11H10N2O6 MolecularWeight: 266.2069

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O6/c12-7-2-1-6(5-8(7)13(16)17)10(14)19-9-3-4-18-11(9)15/h1-2,5,9H,3-4,12H2/t9-/m0/s1