2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propanenitrile

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propanenitrile Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanenitrile CAS Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxo-3-(4-phenyl-1-piperazinyl)propanenitrile IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanenitrile Traditional Name: 3-keto-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-(4-phenylpiperazino)propionitrile Formula: C20H17F3N4O3 MolecularWeight: 418.36919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N4O3/c21-20(22,23)14-6-7-16(18(12-14)27(29)30)17(13-24)19(28)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-7,12,17H,8-11H2