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

Systemtic Name: 2-[(E)-2-(3,4-dimethoxy-5-prop-2-enyl-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(3-allyl-4,5-dimethoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3,4-dimethoxy-5-prop-2-enylphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3,4-dimethoxy-5-prop-2-enylphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(3-allyl-4,5-dimethoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O6/c1-4-5-11-8-10(9-12(25-2)15(11)26-3)6-7-13-18-16(21)14(20(23)24)17(22)19-13/h4,6-9H,1,5H2,2-3H3,(H2,18,19,21,22)/b7-6+