5-nitro-6-oxidanylidene-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-4-olate

Systemtic Name: 5-nitro-6-oxidanylidene-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-4-olate Openeye Name: 5-nitro-6-oxo-2-[(E)-2-[4-(trifluoromethyl)phenyl]vinyl]-1H-pyrimidin-4-olate CAS Name: 5-nitro-6-oxo-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-4-olate IUPAC Name: 5-nitro-6-oxo-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-nitro-2-[(E)-2-[4-(trifluoromethyl)phenyl]vinyl]-1H-pyrimidin-4-olate Formula: C13H7F3N3O4- MolecularWeight: 326.20759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C13H8F3N3O4/c14-13(15,16)8-4-1-7(2-5-8)3-6-9-17-11(20)10(19(22)23)12(21)18-9/h1-6H,(H2,17,18,20,21)/p-1/b6-3+