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

Systemtic Name: 3-chloranyl-4-[[2,4-dinitro-6-(trifluoromethyl)phenyl]-methyl-amino]benzenecarbonitrile Openeye Name: 3-chloro-4-[N-methyl-2,4-dinitro-6-(trifluoromethyl)anilino]benzonitrile CAS Name: 3-chloro-4-[N-methyl-2,4-dinitro-6-(trifluoromethyl)anilino]benzonitrile IUPAC Name: 3-chloro-4-[N-methyl-2,4-dinitro-6-(trifluoromethyl)anilino]benzonitrile Traditional Name: 3-chloro-4-[N-methyl-2,4-dinitro-6-(trifluoromethyl)anilino]benzonitrile Formula: C15H8ClF3N4O4 MolecularWeight: 400.69663

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)C#N)Cl)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C1=C(C=C(C=C1)C#N)Cl)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H8ClF3N4O4/c1-21(12-3-2-8(7-20)4-11(12)16)14-10(15(17,18)19)5-9(22(24)25)6-13(14)23(26)27/h2-6H,1H3