[2-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl] ester IUPAC Name: [2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl] ester Formula: C16H14F3N3O7 MolecularWeight: 417.29347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=C(O1)[N+](=O)[O-])NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(COC(=O)C1=CC=C(O1)[N+](=O)[O-])NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14F3N3O7/c1-15(2,8-28-14(23)12-5-6-13(29-12)22(26)27)20-10-4-3-9(16(17,18)19)7-11(10)21(24)25/h3-7,20H,8H2,1-2H3