N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]benzo[f][1,3]benzodioxol-5-amine

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]benzo[f][1,3]benzodioxol-5-amine Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]benzo[f][1,3]benzodioxol-5-amine CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-5-benzo[f][1,3]benzodioxolamine IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]benzo[f][1,3]benzodioxol-5-amine Traditional Name: benzo[f][1,3]benzodioxol-5-yl-(3-bromo-4,5-dimethoxy-benzyl)amine Formula: C20H18BrNO4 MolecularWeight: 416.26522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC=CC3=CC4=C(C=C32)OCO4)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC=CC3=CC4=C(C=C32)OCO4)Br)OC

InChI

InChI=1S/C20H18BrNO4/c1-23-19-7-12(6-15(21)20(19)24-2)10-22-16-5-3-4-13-8-17-18(9-14(13)16)26-11-25-17/h3-9,22H,10-11H2,1-2H3