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

Systemtic Name: 6-[(E)-2-(3-methoxy-5-nitro-2-oxidanidyl-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(3-methoxy-5-nitro-2-oxido-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-methoxy-5-nitro-2-oxidophenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-methoxy-5-nitro-2-oxidophenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[(E)-2-(3-methoxy-5-nitro-2-oxido-phenyl)vinyl]-5-nitro-1H-pyrimidin-2-olate Formula: C13H8N4O8-2 MolecularWeight: 348.22462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H10N4O8/c1-25-9-5-7(16(21)22)4-6(11(9)18)2-3-8-10(17(23)24)12(19)15-13(20)14-8/h2-5,18H,1H3,(H2,14,15,19,20)/p-2/b3-2+