6-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-5-[(3-nitro-4-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-5-[(3-nitro-4-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(2-fluorophenyl)vinyl]-5-[(4-hydroxy-3-nitro-phenyl)methyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-[(E)-2-(2-fluorophenyl)vinyl]-5-(4-hydroxy-3-nitro-benzyl)-2-methyl-1H-pyrimidin-4-one Formula: C20H16FN3O4 MolecularWeight: 381.357143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC=CC=C2F)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=CC=C2F)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H16FN3O4/c1-12-22-17(8-7-14-4-2-3-5-16(14)21)15(20(26)23-12)10-13-6-9-19(25)18(11-13)24(27)28/h2-9,11,25H,10H2,1H3,(H,22,23,26)/b8-7+