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

Systemtic Name: 6-[(E)-2-(5-bromanyl-2-prop-2-enoxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(2-allyloxy-5-bromo-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(5-bromo-2-prop-2-enoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(5-bromo-2-prop-2-enoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(2-allyloxy-5-bromo-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C15H11BrN3O5- MolecularWeight: 393.16894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN3O5/c1-2-7-24-12-6-4-10(16)8-9(12)3-5-11-13(19(22)23)14(20)18-15(21)17-11/h2-6,8H,1,7H2,(H2,17,18,20,21)/p-1/b5-3+