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2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-amino]propanenitrile

2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-amino]propanenitrile

Systemtic Name:2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-amino]propanenitrile
Openeye Name:2-[N-ethyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile
CAS Name:2-[N-ethyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile
IUPAC Name:2-[N-ethyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile
Traditional Name:2-[N-ethyl-2,6-dinitro-4-(trifluoromethyl)anilino]propionitrile
Formula: C12H11F3N4O4
MolecularWeight: 332.23535
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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(C)C#N


Isomeric SMILES

CCN(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(C)C#N


InChI

InChI=1S/C12H11F3N4O4/c1-3-17(7(2)6-16)11-9(18(20)21)4-8(12(13,14)15)5-10(11)19(22)23/h4-5,7H,3H2,1-2H3


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