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

Systemtic Name: 6-[(E)-2-(3-bromanyl-4-propan-2-yloxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(3-bromo-4-isopropoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-bromo-4-propan-2-yloxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-bromo-4-propan-2-yloxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(3-bromo-4-isopropoxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C15H13BrN3O5- MolecularWeight: 395.18482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C15H14BrN3O5/c1-8(2)24-12-6-4-9(7-10(12)16)3-5-11-13(19(22)23)14(20)18-15(21)17-11/h3-8H,1-2H3,(H2,17,18,20,21)/p-1/b5-3+