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

Systemtic Name: 3-chloranyl-4-[[2,4-dinitro-6-(trifluoromethyl)phenyl]-propyl-amino]benzenecarbonitrile Openeye Name: 3-chloro-4-[2,4-dinitro-N-propyl-6-(trifluoromethyl)anilino]benzonitrile CAS Name: 3-chloro-4-[2,4-dinitro-N-propyl-6-(trifluoromethyl)anilino]benzonitrile IUPAC Name: 3-chloro-4-[2,4-dinitro-N-propyl-6-(trifluoromethyl)anilino]benzonitrile Traditional Name: 3-chloro-4-[2,4-dinitro-N-propyl-6-(trifluoromethyl)anilino]benzonitrile Formula: C17H12ClF3N4O4 MolecularWeight: 428.74979

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(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

CCCN(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/C17H12ClF3N4O4/c1-2-5-23(14-4-3-10(9-22)6-13(14)18)16-12(17(19,20)21)7-11(24(26)27)8-15(16)25(28)29/h3-4,6-8H,2,5H2,1H3