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

Systemtic Name: 3-bromanyl-5-chloranyl-4-[[2,4-dinitro-6-(trifluoromethyl)phenyl]-ethyl-amino]-2-methyl-benzenecarbonitrile Openeye Name: 3-bromo-5-chloro-4-[N-ethyl-2,4-dinitro-6-(trifluoromethyl)anilino]-2-methyl-benzonitrile CAS Name: 3-bromo-5-chloro-4-[N-ethyl-2,4-dinitro-6-(trifluoromethyl)anilino]-2-methylbenzonitrile IUPAC Name: 3-bromo-5-chloro-4-[N-ethyl-2,4-dinitro-6-(trifluoromethyl)anilino]-2-methylbenzonitrile Traditional Name: 3-bromo-5-chloro-4-[N-ethyl-2,4-dinitro-6-(trifluoromethyl)anilino]-2-methyl-benzonitrile Formula: C17H11BrClF3N4O4 MolecularWeight: 507.64585

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C(=C2Br)C)C#N)Cl

Isomeric SMILES

CCN(C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C(=C2Br)C)C#N)Cl

InChI

InChI=1S/C17H11BrClF3N4O4/c1-3-24(16-12(19)4-9(7-23)8(2)14(16)18)15-11(17(20,21)22)5-10(25(27)28)6-13(15)26(29)30/h4-6H,3H2,1-2H3