[3-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [3-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl] 5-nitrofuran-2-carboxylate Openeye Name: [3-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]butyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [3-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]butyl] ester IUPAC Name: [3-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]butyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [3-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]butyl] ester Formula: C17H16F3N3O7 MolecularWeight: 431.32005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H16F3N3O7/c1-16(2,7-8-29-15(24)13-5-6-14(30-13)23(27)28)21-11-4-3-10(17(18,19)20)9-12(11)22(25)26/h3-6,9,21H,7-8H2,1-2H3