2-[(E)-2-(3-ethoxy-4-propoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(3-ethoxy-4-propoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(3-ethoxy-4-propoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(3-ethoxy-4-propoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC

InChI

InChI=1S/C17H19N3O6/c1-3-9-26-12-7-5-11(10-13(12)25-4-2)6-8-14-18-16(21)15(20(23)24)17(22)19-14/h5-8,10H,3-4,9H2,1-2H3,(H2,18,19,21,22)/b8-6+