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

Systemtic Name: 4-[(E)-2-(4-methoxy-3-nitro-phenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate Openeye Name: 4-[(E)-2-(4-methoxy-3-nitro-phenyl)vinyl]-6-(trifluoromethyl)pyrimidin-2-olate CAS Name: 4-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-6-(trifluoromethyl)-2-pyrimidinolate IUPAC Name: 4-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate Traditional Name: 4-[(E)-2-(4-methoxy-3-nitro-phenyl)vinyl]-6-(trifluoromethyl)pyrimidin-2-olate Formula: C14H9F3N3O4- MolecularWeight: 340.23417

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC(=NC(=N2)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=CC(=NC(=N2)[O-])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)/p-1/b4-2+