N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-7-chloranyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-7-chloranyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7-chloro-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-7-chloro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-7-chloro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7-chloro-piperonylamide Formula: C18H17BrClNO5 MolecularWeight: 442.68828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)Br)OC

InChI

InChI=1S/C18H17BrClNO5/c1-23-14-6-10(12(19)8-15(14)24-2)3-4-21-18(22)11-5-13(20)17-16(7-11)25-9-26-17/h5-8H,3-4,9H2,1-2H3,(H,21,22)