4-[2-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)O

InChI

InChI=1S/C18H14BrNO4/c1-2-24-16-9-11(8-15(19)17(16)21)7-14(10-20)12-3-5-13(6-4-12)18(22)23/h3-9,21H,2H2,1H3,(H,22,23)