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

Systemtic Name: 2-[(E)-2-(3-chloranyl-4,5-diethoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(3-chloro-4,5-diethoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3-chloro-4,5-diethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3-chloro-4,5-diethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(3-chloro-4,5-diethoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C16H16ClN3O6 MolecularWeight: 381.76774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O6/c1-3-25-11-8-9(7-10(17)14(11)26-4-2)5-6-12-18-15(21)13(20(23)24)16(22)19-12/h5-8H,3-4H2,1-2H3,(H2,18,19,21,22)/b6-5+