quinolin-8-yl 5-bromanyl-2-iodanyl-benzoate

Systemtic Name: quinolin-8-yl 5-bromanyl-2-iodanyl-benzoate Openeye Name: 8-quinolyl 5-bromo-2-iodo-benzoate CAS Name: 5-bromo-2-iodobenzoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 5-bromo-2-iodobenzoate Traditional Name: 5-bromo-2-iodo-benzoic acid 8-quinolyl ester Formula: C16H9BrINO2 MolecularWeight: 454.05663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)C3=C(C=CC(=C3)Br)I)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)C3=C(C=CC(=C3)Br)I)N=CC=C2

InChI

InChI=1S/C16H9BrINO2/c17-11-6-7-13(18)12(9-11)16(20)21-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H