N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methyl-butanamide

Systemtic Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methyl-butanamide Openeye Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methyl-butanamide CAS Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methylbutanamide IUPAC Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methylbutanamide Traditional Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methyl-butyramide Formula: C12H12F3N3O5 MolecularWeight: 335.23599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N(C)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H12F3N3O5/c1-3-4-10(19)16(2)11-8(17(20)21)5-7(12(13,14)15)6-9(11)18(22)23/h5-6H,3-4H2,1-2H3