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

Systemtic Name: 6-[(Z)-2-(4-methoxy-3-nitro-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(Z)-2-(4-methoxy-3-nitro-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[(Z)-2-(4-methoxy-3-nitro-phenyl)vinyl]-5-nitro-1H-pyrimidin-2-olate Formula: C13H9N4O7- MolecularWeight: 333.23316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O7/c1-24-10-5-3-7(6-9(10)16(20)21)2-4-8-11(17(22)23)12(18)15-13(19)14-8/h2-6H,1H3,(H2,14,15,18,19)/p-1/b4-2-