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

Systemtic Name: 2-[(E)-2-(3-bromophenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(3-bromophenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3-bromophenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3-bromophenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(3-bromophenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C12H8BrN3O4 MolecularWeight: 338.11362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrN3O4/c13-8-3-1-2-7(6-8)4-5-9-14-11(17)10(16(19)20)12(18)15-9/h1-6H,(H2,14,15,17,18)/b5-4+