2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-nitro-benzonitrile CAS Name: 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[methyl-[4-(trifluoromethyl)benzyl]amino]-5-nitro-benzonitrile Formula: C16H12F3N3O2 MolecularWeight: 335.28059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O2/c1-21(10-11-2-4-13(5-3-11)16(17,18)19)15-7-6-14(22(23)24)8-12(15)9-20/h2-8H,10H2,1H3