N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-2-chloranyl-4-methyl-benzamide

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-2-chloranyl-4-methyl-benzamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-chloro-4-methyl-benzamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-chloro-4-methylbenzamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-chloro-4-methylbenzamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-chloro-4-methyl-benzamide Formula: C21H13BrClIN2O2 MolecularWeight: 567.60159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)Cl

InChI

InChI=1S/C21H13BrClIN2O2/c1-11-2-5-14(17(23)8-11)20(27)25-13-4-7-19-18(10-13)26-21(28-19)15-9-12(24)3-6-16(15)22/h2-10H,1H3,(H,25,27)