(4-cyano-2-methoxy-phenyl) 5-bromanyl-2-iodanyl-benzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 5-bromanyl-2-iodanyl-benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 5-bromo-2-iodo-benzoate CAS Name: 5-bromo-2-iodobenzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 5-bromo-2-iodobenzoate Traditional Name: 5-bromo-2-iodo-benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C15H9BrINO3 MolecularWeight: 458.04533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrINO3/c1-20-14-6-9(8-18)2-5-13(14)21-15(19)11-7-10(16)3-4-12(11)17/h2-7H,1H3