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

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-methoxy-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-methoxy-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methoxy-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methoxy-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-methoxy-piperonylamide Formula: C19H20BrNO6 MolecularWeight: 438.2692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO6/c1-23-15-8-11(13(20)9-16(15)24-2)6-7-21-19(22)12-4-5-14-18(17(12)25-3)27-10-26-14/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,22)