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

Systemtic Name: 2-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(3,4-diethoxyphenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(3,4-diethoxyphenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=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(9-12(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)/b8-6+