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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OC

InChI

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