N-[2-methyl-4-(trifluoromethyl)phenyl]-2,4,6-trinitro-aniline

Systemtic Name: N-[2-methyl-4-(trifluoromethyl)phenyl]-2,4,6-trinitro-aniline Openeye Name: N-[2-methyl-4-(trifluoromethyl)phenyl]-2,4,6-trinitro-aniline CAS Name: N-[2-methyl-4-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline IUPAC Name: N-[2-methyl-4-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline Traditional Name: [2-methyl-4-(trifluoromethyl)phenyl]-picryl-amine Formula: C14H9F3N4O6 MolecularWeight: 386.23967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(F)(F)F)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(F)(F)F)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9F3N4O6/c1-7-4-8(14(15,16)17)2-3-10(7)18-13-11(20(24)25)5-9(19(22)23)6-12(13)21(26)27/h2-6,18H,1H3