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

Systemtic Name: 6-[(E)-2-[4-[(2-cyanophenyl)methoxy]-3-ethoxy-phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[4-[(2-cyanophenyl)methoxy]-3-ethoxy-phenyl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-[4-(2-cyanobenzyl)oxy-3-ethoxy-phenyl]vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C22H17N4O6- MolecularWeight: 433.39358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H18N4O6/c1-2-31-19-11-14(7-9-17-20(26(29)30)21(27)25-22(28)24-17)8-10-18(19)32-13-16-6-4-3-5-15(16)12-23/h3-11H,2,13H2,1H3,(H2,24,25,27,28)/p-1/b9-7+