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

Systemtic Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile Formula: C19H15F3N4O3 MolecularWeight: 404.34261

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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=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

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