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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6/c1-3-24-11-7-5-10(12(9-11)25-4-2)6-8-13-17-15(20)14(19(22)23)16(21)18-13/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21)/p-1/b8-6+