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3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-methyl-amino]propanenitrile

3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-methyl-amino]propanenitrile

Systemtic Name:3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-methyl-amino]propanenitrile
Openeye Name:3-[N-methyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile
CAS Name:3-[N-methyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile
IUPAC Name:3-[N-methyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile
Traditional Name:3-[N-methyl-2,6-dinitro-4-(trifluoromethyl)anilino]propionitrile
Formula: C11H9F3N4O4
MolecularWeight: 318.20877
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H9F3N4O4/c1-16(4-2-3-15)10-8(17(19)20)5-7(11(12,13)14)6-9(10)18(21)22/h5-6H,2,4H2,1H3


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