[(2R)-1-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propan-2-yl] 5-nitrofuran-2-carboxylate

Systemtic Name: [(2R)-1-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propan-2-yl] 5-nitrofuran-2-carboxylate Openeye Name: [(1R)-1-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [(2R)-1-[2-nitro-4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-[2-nitro-4-(trifluoromethyl)anilino]propan-2-yl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [(1R)-1-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C15H12F3N3O7 MolecularWeight: 403.26689

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])OC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])OC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C15H12F3N3O7/c1-8(27-14(22)12-4-5-13(28-12)21(25)26)7-19-10-3-2-9(15(16,17)18)6-11(10)20(23)24/h2-6,8,19H,7H2,1H3/t8-/m1/s1