[(3S)-2-oxidanylideneoxolan-3-yl] 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propionic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C14H13F3N2O6 MolecularWeight: 362.25803

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H13F3N2O6/c15-14(16,17)8-1-2-9(10(7-8)19(22)23)18-5-3-12(20)25-11-4-6-24-13(11)21/h1-2,7,11,18H,3-6H2/t11-/m0/s1