2,6-dinitro-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)aniline

Systemtic Name: 2,6-dinitro-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)aniline Openeye Name: 2,6-dinitro-N-(3-pyridylmethyl)-4-(trifluoromethyl)aniline CAS Name: 2,6-dinitro-N-(3-pyridinylmethyl)-4-(trifluoromethyl)aniline IUPAC Name: 2,6-dinitro-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(3-pyridylmethyl)amine Formula: C13H9F3N4O4 MolecularWeight: 342.23017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F3N4O4/c14-13(15,16)9-4-10(19(21)22)12(11(5-9)20(23)24)18-7-8-2-1-3-17-6-8/h1-6,18H,7H2