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

Systemtic Name: 6-[(E)-2-(3-bromanyl-4-ethoxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(3-bromo-4-ethoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(3-bromo-4-ethoxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C14H11BrN3O5- MolecularWeight: 381.15824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C14H12BrN3O5/c1-2-23-11-6-4-8(7-9(11)15)3-5-10-12(18(21)22)13(19)17-14(20)16-10/h3-7H,2H2,1H3,(H2,16,17,19,20)/p-1/b5-3+