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

Systemtic Name: 6-[(E)-2-(3-methoxy-4-phenethyloxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(3-methoxy-4-phenethyloxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-methoxy-4-phenethyloxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-methoxy-4-phenethyloxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[(E)-2-(3-methoxy-4-phenethyloxy-phenyl)vinyl]-5-nitro-1H-pyrimidin-2-olate Formula: C21H18N3O6- MolecularWeight: 408.38412

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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-])OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OCCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O6/c1-29-18-13-15(7-9-16-19(24(27)28)20(25)23-21(26)22-16)8-10-17(18)30-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,22,23,25,26)/p-1/b9-7+