N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-pyrimidin-2-yl-propane-1,3-diamine

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-pyrimidin-2-yl-propane-1,3-diamine Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-pyrimidin-2-yl-propane-1,3-diamine CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-pyrimidinyl)propane-1,3-diamine IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-pyrimidin-2-ylpropane-1,3-diamine Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propyl-(2-pyrimidyl)amine Formula: C14H14F3N5O2 MolecularWeight: 341.28847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H14F3N5O2/c15-14(16,17)10-3-4-11(12(9-10)22(23)24)18-5-1-6-19-13-20-7-2-8-21-13/h2-4,7-9,18H,1,5-6H2,(H,19,20,21)