N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-2-methyl-benzamide

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-2-methyl-benzamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-methyl-benzamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-methyl-benzamide Formula: C21H14BrIN2O2 MolecularWeight: 533.15653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

InChI

InChI=1S/C21H14BrIN2O2/c1-12-4-2-3-5-15(12)20(26)24-14-7-9-19-18(11-14)25-21(27-19)16-10-13(23)6-8-17(16)22/h2-11H,1H3,(H,24,26)