4-[(E)-2-(4-methyl-3-nitro-phenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate

Systemtic Name: 4-[(E)-2-(4-methyl-3-nitro-phenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate Openeye Name: 4-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]-6-(trifluoromethyl)pyrimidin-2-olate CAS Name: 4-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-6-(trifluoromethyl)-2-pyrimidinolate IUPAC Name: 4-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate Traditional Name: 4-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]-6-(trifluoromethyl)pyrimidin-2-olate Formula: C14H9F3N3O3- MolecularWeight: 324.23477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=CC(=NC(=N2)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C2=CC(=NC(=N2)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H10F3N3O3/c1-8-2-3-9(6-11(8)20(22)23)4-5-10-7-12(14(15,16)17)19-13(21)18-10/h2-7H,1H3,(H,18,19,21)/p-1/b5-4+