2-(4-fluorophenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]-3-pyridin-2-yl-propanenitrile

Systemtic Name: 2-(4-fluorophenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]-3-pyridin-2-yl-propanenitrile Openeye Name: 2-(4-fluorophenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]-3-(2-pyridyl)propanenitrile CAS Name: 2-(4-fluorophenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]-3-(2-pyridinyl)propanenitrile IUPAC Name: 2-(4-fluorophenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]-3-pyridin-2-ylpropanenitrile Traditional Name: 2-(4-fluorophenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]-3-(2-pyridyl)propionitrile Formula: C21H13F4N3O2 MolecularWeight: 415.340433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC(C#N)(C2=CC=C(C=C2)F)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CC(C#N)(C2=CC=C(C=C2)F)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H13F4N3O2/c22-16-7-4-14(5-8-16)20(13-26,12-17-3-1-2-10-27-17)15-6-9-19(28(29)30)18(11-15)21(23,24)25/h1-11H,12H2