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

Systemtic Name: N-[2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-2-keto-ethyl]-piperonylamide Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O6/c1-26-16-7-12(14(21)9-17(16)27-2)5-6-22-19(24)10-23-20(25)13-3-4-15-18(8-13)29-11-28-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,24)(H,23,25)