ethyl (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-acrylic acid ethyl ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)O)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C(=C1)Br)O)OC)/C#N

InChI

InChI=1S/C13H12BrNO4/c1-3-19-13(17)9(7-15)4-8-5-10(14)12(16)11(6-8)18-2/h4-6,16H,3H2,1-2H3/b9-4+