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

Systemtic Name: 6-[(E)-2-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-benzyloxy-3-bromo-5-methoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(4-benzoxy-3-bromo-5-methoxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C20H15BrN3O6- MolecularWeight: 473.2536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H16BrN3O6/c1-29-16-10-13(7-8-15-17(24(27)28)19(25)23-20(26)22-15)9-14(21)18(16)30-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,22,23,25,26)/p-1/b8-7+