3-bromanyl-4-[[2,4-dinitro-6-(trifluoromethyl)phenyl]-ethyl-amino]benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-[[2,4-dinitro-6-(trifluoromethyl)phenyl]-ethyl-amino]benzenecarbonitrile Openeye Name: 3-bromo-4-[N-ethyl-2,4-dinitro-6-(trifluoromethyl)anilino]benzonitrile CAS Name: 3-bromo-4-[N-ethyl-2,4-dinitro-6-(trifluoromethyl)anilino]benzonitrile IUPAC Name: 3-bromo-4-[N-ethyl-2,4-dinitro-6-(trifluoromethyl)anilino]benzonitrile Traditional Name: 3-bromo-4-[N-ethyl-2,4-dinitro-6-(trifluoromethyl)anilino]benzonitrile Formula: C16H10BrF3N4O4 MolecularWeight: 459.17421

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C#N)Br)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C#N)Br)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10BrF3N4O4/c1-2-22(13-4-3-9(8-21)5-12(13)17)15-11(16(18,19)20)6-10(23(25)26)7-14(15)24(27)28/h3-7H,2H2,1H3