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

Systemtic Name: 3-nitro-4-[[(3S)-2-oxidanylideneoxolan-3-yl]amino]benzoate Openeye Name: 3-nitro-4-[[(3S)-2-oxotetrahydrofuran-3-yl]amino]benzoate CAS Name: 3-nitro-4-[[(3S)-2-oxo-3-oxolanyl]amino]benzoate IUPAC Name: 3-nitro-4-[[(3S)-2-oxooxolan-3-yl]amino]benzoate Traditional Name: 4-[[(3S)-2-ketotetrahydrofuran-3-yl]amino]-3-nitro-benzoate Formula: C11H9N2O6- MolecularWeight: 265.19896

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1NC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)[C@H]1NC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O6/c14-10(15)6-1-2-7(9(5-6)13(17)18)12-8-3-4-19-11(8)16/h1-2,5,8,12H,3-4H2,(H,14,15)/p-1/t8-/m0/s1