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

Systemtic Name: 3-(2-fluoranyl-5-methoxy-4-nitro-phenyl)-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 3-(2-fluoro-5-methoxy-4-nitro-phenyl)-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 3-(2-fluoro-5-methoxy-4-nitrophenyl)-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 3-(2-fluoro-5-methoxy-4-nitrophenyl)-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 3-(2-fluoro-5-methoxy-4-nitro-phenyl)-6-(trifluoromethyl)pyrimidin-4-one Formula: C12H7F4N3O4 MolecularWeight: 333.195293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2C=NC(=CC2=O)C(F)(F)F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)N2C=NC(=CC2=O)C(F)(F)F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H7F4N3O4/c1-23-9-3-7(6(13)2-8(9)19(21)22)18-5-17-10(4-11(18)20)12(14,15)16/h2-5H,1H3