2-[(E)-2-(4-bromophenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(E)-2-(4-bromophenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(4-bromophenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(4-bromophenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(4-bromophenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(4-bromophenyl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C12H7BrN3O4- MolecularWeight: 337.10568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrN3O4/c13-8-4-1-7(2-5-8)3-6-9-14-11(17)10(16(19)20)12(18)15-9/h1-6H,(H2,14,15,17,18)/p-1/b6-3+