4-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]methyl]benzonitrile Formula: C19H16F3N5O4 MolecularWeight: 435.35665

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N5O4/c20-19(21,22)15-9-16(26(28)29)18(17(10-15)27(30)31)25-7-5-24(6-8-25)12-14-3-1-13(11-23)2-4-14/h1-4,9-10H,5-8,12H2