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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6/c1-3-8-25-11-6-4-10(9-12(11)24-2)5-7-13-17-15(20)14(19(22)23)16(21)18-13/h4-7,9H,3,8H2,1-2H3,(H2,17,18,20,21)/b7-5+