3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[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=CC(=C3)C#N

Isomeric SMILES

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

InChI

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