6-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(3,4-diethoxyphenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(3,4-diethoxyphenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C16H16N3O6- MolecularWeight: 346.31474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C16H17N3O6/c1-3-24-12-8-6-10(9-13(12)25-4-2)5-7-11-14(19(22)23)15(20)18-16(21)17-11/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21)/p-1/b7-5+