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

Systemtic Name: 4-[(E)-2-(4-methoxy-3-nitro-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Openeye Name: 4-[(E)-2-(4-methoxy-3-nitro-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one CAS Name: 4-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one IUPAC Name: 4-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Traditional Name: 4-[(E)-2-(4-methoxy-3-nitro-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Formula: C14H10F3N3O4 MolecularWeight: 341.24211

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC(=O)NC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC(=O)NC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H10F3N3O4/c1-24-11-5-3-8(6-10(11)20(22)23)2-4-9-7-12(14(15,16)17)19-13(21)18-9/h2-7H,1H3,(H,18,19,21)/b4-2+