2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]propanedinitrile Openeye Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methylene]propanedinitrile CAS Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]propanedinitrile Traditional Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methylene]malononitrile Formula: C15H12F3N5O2 MolecularWeight: 351.28329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=C(C#N)C#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C=C(C#N)C#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H12F3N5O2/c16-15(17,18)12-1-2-13(14(7-12)23(24)25)22-5-3-21(4-6-22)10-11(8-19)9-20/h1-2,7,10H,3-6H2