4-bromanyl-2-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenolate

Systemtic Name: 4-bromanyl-2-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenolate Openeye Name: 4-bromo-2-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenolate CAS Name: 4-bromo-2-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate IUPAC Name: 4-bromo-2-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate Traditional Name: 4-bromo-2-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]phenolate Formula: C12H7BrN3O5- MolecularWeight: 353.10508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H8BrN3O5/c13-7-2-4-9(17)6(5-7)1-3-8-10(16(20)21)11(18)15-12(19)14-8/h1-5,17H,(H2,14,15,18,19)/p-1/b3-1+