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

Systemtic Name: 6-[(E)-2-[3-chloranyl-4-[(2-cyanophenyl)methoxy]-5-methoxy-phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-methoxy-phenyl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-[3-chloro-4-(2-cyanobenzyl)oxy-5-methoxy-phenyl]vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C21H14ClN4O6- MolecularWeight: 453.81206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Cl)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Cl)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H15ClN4O6/c1-31-17-9-12(6-7-16-18(26(29)30)20(27)25-21(28)24-16)8-15(22)19(17)32-11-14-5-3-2-4-13(14)10-23/h2-9H,11H2,1H3,(H2,24,25,27,28)/p-1/b7-6+