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

Systemtic Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile Openeye Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile CAS Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile Traditional Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]butyronitrile Formula: C15H17F3N4O2 MolecularWeight: 342.31629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCC#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H17F3N4O2/c16-15(17,18)12-3-4-13(14(11-12)22(23)24)21-9-7-20(8-10-21)6-2-1-5-19/h3-4,11H,1-2,6-10H2