N-(4-bromanyl-2-methyl-phenyl)-2,4-dinitro-6-(trifluoromethyl)aniline

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2,4-dinitro-6-(trifluoromethyl)aniline Openeye Name: N-(4-bromo-2-methyl-phenyl)-2,4-dinitro-6-(trifluoromethyl)aniline CAS Name: N-(4-bromo-2-methylphenyl)-2,4-dinitro-6-(trifluoromethyl)aniline IUPAC Name: N-(4-bromo-2-methylphenyl)-2,4-dinitro-6-(trifluoromethyl)aniline Traditional Name: (4-bromo-2-methyl-phenyl)-[2,4-dinitro-6-(trifluoromethyl)phenyl]amine Formula: C14H9BrF3N3O4 MolecularWeight: 420.13817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9BrF3N3O4/c1-7-4-8(15)2-3-11(7)19-13-10(14(16,17)18)5-9(20(22)23)6-12(13)21(24)25/h2-6,19H,1H3