3-[2,4-bis(fluoranyl)-5-nitro-phenyl]-1-methyl-6-(trifluoromethyl)pyrazin-2-one

Systemtic Name: 3-[2,4-bis(fluoranyl)-5-nitro-phenyl]-1-methyl-6-(trifluoromethyl)pyrazin-2-one Openeye Name: 3-(2,4-difluoro-5-nitro-phenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one CAS Name: 3-(2,4-difluoro-5-nitrophenyl)-1-methyl-6-(trifluoromethyl)-2-pyrazinone IUPAC Name: 3-(2,4-difluoro-5-nitrophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one Traditional Name: 3-(2,4-difluoro-5-nitro-phenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one Formula: C12H6F5N3O3 MolecularWeight: 335.186356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C(C1=O)C2=CC(=C(C=C2F)F)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=CN=C(C1=O)C2=CC(=C(C=C2F)F)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H6F5N3O3/c1-19-9(12(15,16)17)4-18-10(11(19)21)5-2-8(20(22)23)7(14)3-6(5)13/h2-4H,1H3