2-[[2,4-dinitro-6-(trifluoromethyl)phenyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[2,4-dinitro-6-(trifluoromethyl)phenyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-5-nitro-benzonitrile CAS Name: 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-5-nitrobenzonitrile Traditional Name: 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-5-nitro-benzonitrile Formula: C14H6F3N5O6 MolecularWeight: 397.22255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H6F3N5O6/c15-14(16,17)10-4-9(21(25)26)5-12(22(27)28)13(10)19-11-2-1-8(20(23)24)3-7(11)6-18/h1-5,19H