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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CN2C(=CC=NC2=O)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1/C=C/N2C(=CC=NC2=O)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C13H7BrF3N3O3/c14-9-2-1-8(7-10(9)20(22)23)4-6-19-11(13(15,16)17)3-5-18-12(19)21/h1-7H/b6-4+