ethyl (E)-2-bromanyl-3-[(3-oxidanylidene-1$l^{3},2-benziodoxol-1-yl)oxy]but-2-enoate

Systemtic Name: ethyl (E)-2-bromanyl-3-[(3-oxidanylidene-1$l^{3},2-benziodoxol-1-yl)oxy]but-2-enoate Openeye Name: ethyl (E)-2-bromo-3-[(3-oxo-1$l^{3},2-benziodoxol-1-yl)oxy]but-2-enoate CAS Name: (E)-2-bromo-3-[(3-oxo-1$l^{3},2-benziodoxol-1-yl)oxy]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-bromo-3-[(3-oxo-1$l^{3},2-benziodoxol-1-yl)oxy]but-2-enoate Traditional Name: (E)-2-bromo-3-[(3-keto-1$l^{3},2-benziodoxol-1-yl)oxy]but-2-enoic acid ethyl ester Formula: C13H12BrIO5 MolecularWeight: 455.03985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)OI1C2=CC=CC=C2C(=O)O1)Br

Isomeric SMILES

CCOC(=O)/C(=C(/C)\OI1C2=CC=CC=C2C(=O)O1)/Br

InChI

InChI=1S/C13H12BrIO5/c1-3-18-13(17)11(14)8(2)19-15-10-7-5-4-6-9(10)12(16)20-15/h4-7H,3H2,1-2H3/b11-8+