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

Systemtic Name: 3-(4-methylpiperazin-1-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-methylpiperazin-1-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxo-propanenitrile CAS Name: 3-(4-methyl-1-piperazinyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile IUPAC Name: 3-(4-methylpiperazin-1-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile Traditional Name: 3-keto-3-(4-methylpiperazino)-2-[2-nitro-4-(trifluoromethyl)phenyl]propionitrile Formula: C15H15F3N4O3 MolecularWeight: 356.29981

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(C#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C(C#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H15F3N4O3/c1-20-4-6-21(7-5-20)14(23)12(9-19)11-3-2-10(15(16,17)18)8-13(11)22(24)25/h2-3,8,12H,4-7H2,1H3