3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one Formula: C12H4F6N4O5 MolecularWeight: 398.174379

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2C=NC(=CC2=O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2C=NC(=CC2=O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H4F6N4O5/c13-11(14,15)5-1-6(21(24)25)10(7(2-5)22(26)27)20-4-19-8(3-9(20)23)12(16,17)18/h1-4H