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

Systemtic Name: 2-[butyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propanenitrile Openeye Name: 2-[N-butyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile CAS Name: 2-[N-butyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile IUPAC Name: 2-[N-butyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile Traditional Name: 2-[N-butyl-2,6-dinitro-4-(trifluoromethyl)anilino]propionitrile Formula: C14H15F3N4O4 MolecularWeight: 360.28851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N4O4/c1-3-4-5-19(9(2)8-18)13-11(20(22)23)6-10(14(15,16)17)7-12(13)21(24)25/h6-7,9H,3-5H2,1-2H3