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

Systemtic Name: 3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-phenyl-amino]propanenitrile Openeye Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanenitrile CAS Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanenitrile IUPAC Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanenitrile Traditional Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propionitrile Formula: C16H12F3N5O4 MolecularWeight: 395.29279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N5O4/c17-16(18,19)11-9-13(23(25)26)15(14(10-11)24(27)28)21-22(8-4-7-20)12-5-2-1-3-6-12/h1-3,5-6,9-10,21H,4,8H2