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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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