ethyl (E)-3-[2,3-bis(bromanyl)-5-ethoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[2,3-bis(bromanyl)-5-ethoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(2,3-dibromo-5-ethoxy-4-hydroxy-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,3-dibromo-5-ethoxy-4-hydroxy-phenyl)acrylic acid ethyl ester Formula: C14H13Br2NO4 MolecularWeight: 419.06532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C=C(C#N)C(=O)OCC)Br)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C14H13Br2NO4/c1-3-20-10-6-8(11(15)12(16)13(10)18)5-9(7-17)14(19)21-4-2/h5-6,18H,3-4H2,1-2H3/b9-5+