3-bromanyl-4-[[2,4-dinitro-6-(trifluoromethyl)phenyl]amino]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-[[2,4-dinitro-6-(trifluoromethyl)phenyl]amino]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-bromo-4-[2,4-dinitro-6-(trifluoromethyl)anilino]-5-fluoro-benzonitrile CAS Name: 3-bromo-4-[2,4-dinitro-6-(trifluoromethyl)anilino]-5-fluorobenzonitrile IUPAC Name: 3-bromo-4-[2,4-dinitro-6-(trifluoromethyl)anilino]-5-fluorobenzonitrile Traditional Name: 3-bromo-4-[2,4-dinitro-6-(trifluoromethyl)anilino]-5-fluoro-benzonitrile Formula: C14H5BrF4N4O4 MolecularWeight: 449.111513

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1=C(C=C(C(=C1F)NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C14H5BrF4N4O4/c15-9-1-6(5-20)2-10(16)13(9)21-12-8(14(17,18)19)3-7(22(24)25)4-11(12)23(26)27/h1-4,21H