N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-piperonylamide Formula: C21H12ClIN2O4 MolecularWeight: 518.68845

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Cl

InChI

InChI=1S/C21H12ClIN2O4/c22-15-4-2-12(23)8-14(15)21-25-16-9-13(3-6-17(16)29-21)24-20(26)11-1-5-18-19(7-11)28-10-27-18/h1-9H,10H2,(H,24,26)