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

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxo-propanenitrile CAS Name: 3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile Traditional Name: 3-keto-3-[4-(2-methoxyphenyl)piperazino]-2-[2-nitro-4-(trifluoromethyl)phenyl]propionitrile Formula: C21H19F3N4O4 MolecularWeight: 448.39517

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(C#N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(C#N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N4O4/c1-32-19-5-3-2-4-17(19)26-8-10-27(11-9-26)20(29)16(13-25)15-7-6-14(21(22,23)24)12-18(15)28(30)31/h2-7,12,16H,8-11H2,1H3