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

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C13H11F3N2O6 MolecularWeight: 348.23145

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11F3N2O6/c14-13(15,16)7-1-2-8(9(5-7)18(21)22)17-6-11(19)24-10-3-4-23-12(10)20/h1-2,5,10,17H,3-4,6H2/t10-/m0/s1