5-nitro-4-oxidanyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one

Systemtic Name: 5-nitro-4-oxidanyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-[(E)-2-[4-(trifluoromethyl)phenyl]vinyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-nitro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-nitro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-[(E)-2-[4-(trifluoromethyl)phenyl]vinyl]-1H-pyrimidin-6-one Formula: C13H8F3N3O4 MolecularWeight: 327.21553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)C(F)(F)F

InChI

InChI=1S/C13H8F3N3O4/c14-13(15,16)8-4-1-7(2-5-8)3-6-9-17-11(20)10(19(22)23)12(21)18-9/h1-6H,(H2,17,18,20,21)/b6-3+