6-[(E)-2-[3-bromanyl-4-[(4-cyanophenyl)methoxy]-5-methoxy-phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-[3-bromanyl-4-[(4-cyanophenyl)methoxy]-5-methoxy-phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxy-phenyl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-[3-bromo-4-(4-cyanobenzyl)oxy-5-methoxy-phenyl]vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C21H14BrN4O6- MolecularWeight: 498.26306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Br)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Br)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H15BrN4O6/c1-31-17-9-14(6-7-16-18(26(29)30)20(27)25-21(28)24-16)8-15(22)19(17)32-11-13-4-2-12(10-23)3-5-13/h2-9H,11H2,1H3,(H2,24,25,27,28)/p-1/b7-6+