5-nitro-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-[2-(trifluoromethyl)benzoyl]piperazino]benzonitrile Formula: C19H15F3N4O3 MolecularWeight: 404.34261

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H15F3N4O3/c20-19(21,22)16-4-2-1-3-15(16)18(27)25-9-7-24(8-10-25)17-6-5-14(26(28)29)11-13(17)12-23/h1-6,11H,7-10H2