methyl (Z)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: methyl (Z)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoate Openeye Name: methyl (Z)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (Z)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (Z)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acrylic acid methyl ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)OC)Br)O

InChI

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