5-chloranyl-3-(2-fluoranyl-5-nitro-4-oxidanyl-phenyl)-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 5-chloranyl-3-(2-fluoranyl-5-nitro-4-oxidanyl-phenyl)-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 5-chloro-3-(2-fluoro-4-hydroxy-5-nitro-phenyl)-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 5-chloro-3-(2-fluoro-4-hydroxy-5-nitrophenyl)-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 5-chloro-3-(2-fluoro-4-hydroxy-5-nitrophenyl)-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 5-chloro-3-(2-fluoro-4-hydroxy-5-nitro-phenyl)-6-(trifluoromethyl)pyrimidin-4-one Formula: C11H4ClF4N3O4 MolecularWeight: 353.613773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1[N+](=O)[O-])O)F)N2C=NC(=C(C2=O)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C(=CC(=C1[N+](=O)[O-])O)F)N2C=NC(=C(C2=O)Cl)C(F)(F)F

InChI

InChI=1S/C11H4ClF4N3O4/c12-8-9(11(14,15)16)17-3-18(10(8)21)5-2-6(19(22)23)7(20)1-4(5)13/h1-3,20H