2-[(E)-2-[5-(4-ethanoylphenyl)furan-2-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-[5-(4-ethanoylphenyl)furan-2-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[5-(4-acetylphenyl)-2-furyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[5-(4-acetylphenyl)-2-furanyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[5-(4-acetylphenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[5-(4-acetylphenyl)-2-furyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C18H13N3O6/c1-10(22)11-2-4-12(5-3-11)14-8-6-13(27-14)7-9-15-19-17(23)16(21(25)26)18(24)20-15/h2-9H,1H3,(H2,19,20,23,24)/b9-7+