6-[(E)-2-(4-bromanyl-3-nitro-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-(4-bromanyl-3-nitro-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-bromo-3-nitro-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(4-bromo-3-nitro-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C12H6BrN4O6- MolecularWeight: 382.10324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7BrN4O6/c13-7-3-1-6(5-9(7)16(20)21)2-4-8-10(17(22)23)11(18)15-12(19)14-8/h1-5H,(H2,14,15,18,19)/p-1/b4-2+