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

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OC2CCOC2=O)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)O[C@H]2CCOC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O7/c1-21-7-5-15-10-3-2-9(8-11(10)16(19)20)13(17)23-12-4-6-22-14(12)18/h2-3,8,12,15H,4-7H2,1H3/t12-/m0/s1