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

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-iodanyl-benzamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-iodo-benzamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-iodobenzamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-iodobenzamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-iodo-benzamide Formula: C21H14BrIN2O3 MolecularWeight: 549.15593

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)I)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)I)Br

InChI

InChI=1S/C21H14BrIN2O3/c1-27-18-8-4-13(10-16(18)22)21-25-17-11-15(7-9-19(17)28-21)24-20(26)12-2-5-14(23)6-3-12/h2-11H,1H3,(H,24,26)