4-[(E)-2-(4-bromanyl-3-nitro-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

Systemtic Name: 4-[(E)-2-(4-bromanyl-3-nitro-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Openeye Name: 4-[(E)-2-(4-bromo-3-nitro-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one CAS Name: 4-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one IUPAC Name: 4-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Traditional Name: 4-[(E)-2-(4-bromo-3-nitro-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Formula: C13H7BrF3N3O3 MolecularWeight: 390.11219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC2=NC(=O)NC(=C2)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C2=NC(=O)NC(=C2)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C13H7BrF3N3O3/c14-9-4-2-7(5-10(9)20(22)23)1-3-8-6-11(13(15,16)17)19-12(21)18-8/h1-6H,(H,18,19,21)/b3-1+