N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-oxidanyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-oxidanyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-hydroxy-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-hydroxy-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-hydroxy-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-hydroxy-piperonylamide Formula: C18H18BrNO6 MolecularWeight: 424.24262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C3=C(C=C2)OCO3)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C3=C(C=C2)OCO3)O)Br)OC

InChI

InChI=1S/C18H18BrNO6/c1-23-14-7-10(12(19)8-15(14)24-2)5-6-20-18(22)11-3-4-13-17(16(11)21)26-9-25-13/h3-4,7-8,21H,5-6,9H2,1-2H3,(H,20,22)