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

Systemtic Name: 3-(2-fluoranyl-4-nitro-5-propan-2-yloxy-phenyl)-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 3-(2-fluoro-5-isopropoxy-4-nitro-phenyl)-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 3-(2-fluoro-4-nitro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 3-(2-fluoro-4-nitro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 3-(2-fluoro-5-isopropoxy-4-nitro-phenyl)-6-(trifluoromethyl)pyrimidin-4-one Formula: C14H11F4N3O4 MolecularWeight: 361.248453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)N2C=NC(=CC2=O)C(F)(F)F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)N2C=NC(=CC2=O)C(F)(F)F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11F4N3O4/c1-7(2)25-11-4-9(8(15)3-10(11)21(23)24)20-6-19-12(5-13(20)22)14(16,17)18/h3-7H,1-2H3