4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethoxy]benzonitrile Formula: C20H17F3N4O4 MolecularWeight: 434.36859

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17F3N4O4/c21-20(22,23)15-3-6-17(18(11-15)27(29)30)25-7-9-26(10-8-25)19(28)13-31-16-4-1-14(12-24)2-5-16/h1-6,11H,7-10,13H2