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

Systemtic Name: 2,6-dimethoxy-4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenolate Openeye Name: 2,6-dimethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenolate CAS Name: 2,6-dimethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate IUPAC Name: 2,6-dimethoxy-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]-2,6-dimethoxy-phenolate Formula: C14H12N3O7- MolecularWeight: 334.26098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O7/c1-23-9-5-7(6-10(24-2)12(9)18)3-4-8-11(17(21)22)13(19)16-14(20)15-8/h3-6,18H,1-2H3,(H2,15,16,19,20)/p-1/b4-3+