2-[(E)-2-[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[3-bromo-5-methoxy-4-(2-pyridylmethoxy)phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[3-bromo-5-methoxy-4-(2-pyridinylmethoxy)phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[3-bromo-5-methoxy-4-(2-pyridylmethoxy)phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C19H15BrN4O6 MolecularWeight: 475.2496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Br)OCC3=CC=CC=N3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Br)OCC3=CC=CC=N3

InChI

InChI=1S/C19H15BrN4O6/c1-29-14-9-11(5-6-15-22-18(25)16(24(27)28)19(26)23-15)8-13(20)17(14)30-10-12-4-2-3-7-21-12/h2-9H,10H2,1H3,(H2,22,23,25,26)/b6-5+