2-nitro-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)aniline

Systemtic Name: 2-nitro-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)aniline Openeye Name: 2-nitro-N-(4-pyridylmethyl)-4-(trifluoromethyl)aniline CAS Name: 2-nitro-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)aniline IUPAC Name: 2-nitro-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)aniline Traditional Name: [2-nitro-4-(trifluoromethyl)phenyl]-(4-pyridylmethyl)amine Formula: C13H10F3N3O2 MolecularWeight: 297.23261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCC2=CC=NC=C2

InChI

InChI=1S/C13H10F3N3O2/c14-13(15,16)10-1-2-11(12(7-10)19(20)21)18-8-9-3-5-17-6-4-9/h1-7,18H,8H2