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

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-3,4-dimethyl-benzamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-3,4-dimethyl-benzamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-3,4-dimethyl-benzamide Formula: C22H16BrIN2O2 MolecularWeight: 547.18311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrIN2O2/c1-12-3-4-14(9-13(12)2)21(27)25-16-6-8-20-19(11-16)26-22(28-20)17-10-15(24)5-7-18(17)23/h3-11H,1-2H3,(H,25,27)