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

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

Systemtic Name:2-[[2,4-dinitro-6-(trifluoromethyl)phenyl]-propyl-amino]propanenitrile
Openeye Name:2-[2,4-dinitro-N-propyl-6-(trifluoromethyl)anilino]propanenitrile
CAS Name:2-[2,4-dinitro-N-propyl-6-(trifluoromethyl)anilino]propanenitrile
IUPAC Name:2-[2,4-dinitro-N-propyl-6-(trifluoromethyl)anilino]propanenitrile
Traditional Name:2-[2,4-dinitro-N-propyl-6-(trifluoromethyl)anilino]propionitrile
Formula: C13H13F3N4O4
MolecularWeight: 346.26193
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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C(C)C#N


Isomeric SMILES

CCCN(C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C(C)C#N


InChI

InChI=1S/C13H13F3N4O4/c1-3-4-18(8(2)7-17)12-10(13(14,15)16)5-9(19(21)22)6-11(12)20(23)24/h5-6,8H,3-4H2,1-2H3


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