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

Systemtic Name: 6-[(E)-2-(3-ethoxy-4-phenethyloxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(3-ethoxy-4-phenethyloxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-ethoxy-4-phenethyloxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-ethoxy-4-phenethyloxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(3-ethoxy-4-phenethyloxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C22H20N3O6- MolecularWeight: 422.4107

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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-])OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OCCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O6/c1-2-30-19-14-16(8-10-17-20(25(28)29)21(26)24-22(27)23-17)9-11-18(19)31-13-12-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H2,23,24,26,27)/p-1/b10-8+