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

Systemtic Name: 2-[(E)-2-(3-bromanyl-4-ethoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(3-bromo-4-ethoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3-bromo-4-ethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(3-bromo-4-ethoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C14H12BrN3O5 MolecularWeight: 382.16618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrN3O5/c1-2-23-10-5-3-8(7-9(10)15)4-6-11-16-13(19)12(18(21)22)14(20)17-11/h3-7H,2H2,1H3,(H2,16,17,19,20)/b6-4+