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

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-3,4,5-trimethoxy-benzamide Formula: C23H18BrIN2O5 MolecularWeight: 609.20789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

InChI

InChI=1S/C23H18BrIN2O5/c1-29-19-8-12(9-20(30-2)21(19)31-3)22(28)26-14-5-7-18-17(11-14)27-23(32-18)15-10-13(25)4-6-16(15)24/h4-11H,1-3H3,(H,26,28)