ethyl (E)-4-[5-(2-bromanylethanoyl)-3-methoxy-2-oxidanyl-phenyl]but-2-enoate

Systemtic Name: ethyl (E)-4-[5-(2-bromanylethanoyl)-3-methoxy-2-oxidanyl-phenyl]but-2-enoate Openeye Name: ethyl (E)-4-[5-(2-bromoacetyl)-2-hydroxy-3-methoxy-phenyl]but-2-enoate CAS Name: (E)-4-[5-(2-bromo-1-oxoethyl)-2-hydroxy-3-methoxyphenyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[5-(2-bromoacetyl)-2-hydroxy-3-methoxyphenyl]but-2-enoate Traditional Name: (E)-4-[5-(2-bromoacetyl)-2-hydroxy-3-methoxy-phenyl]but-2-enoic acid ethyl ester Formula: C15H17BrO5 MolecularWeight: 357.19648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC1=C(C(=CC(=C1)C(=O)CBr)OC)O

Isomeric SMILES

CCOC(=O)/C=C/CC1=C(C(=CC(=C1)C(=O)CBr)OC)O

InChI

InChI=1S/C15H17BrO5/c1-3-21-14(18)6-4-5-10-7-11(12(17)9-16)8-13(20-2)15(10)19/h4,6-8,19H,3,5,9H2,1-2H3/b6-4+