2,4-dinitro-N3-(phenylmethyl)-6-(trifluoromethyl)benzene-1,3-diamine

Systemtic Name: 2,4-dinitro-N3-(phenylmethyl)-6-(trifluoromethyl)benzene-1,3-diamine Openeye Name: N3-benzyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: 2,4-dinitro-N3-(phenylmethyl)-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: 3-N-benzyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: [3-amino-2,6-dinitro-4-(trifluoromethyl)phenyl]-benzyl-amine Formula: C14H11F3N4O4 MolecularWeight: 356.25675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C(=C2[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C(=C2[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11F3N4O4/c15-14(16,17)9-6-10(20(22)23)12(13(11(9)18)21(24)25)19-7-8-4-2-1-3-5-8/h1-6,19H,7,18H2