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

Systemtic Name: 4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]-2-oxidanyl-phenolate Openeye Name: 2-hydroxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenolate CAS Name: 2-hydroxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate IUPAC Name: 2-hydroxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate Traditional Name: 4-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-hydroxy-phenolate Formula: C12H8N3O6- MolecularWeight: 290.20842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O6/c16-8-4-2-6(5-9(8)17)1-3-7-10(15(20)21)11(18)14-12(19)13-7/h1-5,16-17H,(H2,13,14,18,19)/p-1/b3-1+