3-fluoranyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-fluoro-4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile Formula: C19H14F4N4O3 MolecularWeight: 422.333073

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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)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C19H14F4N4O3/c20-15-9-12(11-24)1-3-14(15)18(28)26-7-5-25(6-8-26)16-4-2-13(19(21,22)23)10-17(16)27(29)30/h1-4,9-10H,5-8H2