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

Systemtic Name: 4-[2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C17H12BrNO4 MolecularWeight: 374.18548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)O

InChI

InChI=1S/C17H12BrNO4/c1-23-15-8-10(7-14(18)16(15)20)6-13(9-19)11-2-4-12(5-3-11)17(21)22/h2-8,20H,1H3,(H,21,22)