2-[1-cyanoethyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propanenitrile

Systemtic Name: 2-[1-cyanoethyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propanenitrile Openeye Name: 2-[N-(1-cyanoethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile CAS Name: 2-[N-(1-cyanoethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile IUPAC Name: 2-[N-(1-cyanoethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile Traditional Name: 2-[N-(1-cyanoethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]propionitrile Formula: C13H10F3N5O4 MolecularWeight: 357.24481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3N5O4/c1-7(5-17)19(8(2)6-18)12-10(20(22)23)3-9(13(14,15)16)4-11(12)21(24)25/h3-4,7-8H,1-2H3