N-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl]-1,3-benzodioxol-5-amine

Systemtic Name: N-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl]-1,3-benzodioxol-5-amine Openeye Name: N-[(3,5-dibromo-2-methoxy-phenyl)methyl]-1,3-benzodioxol-5-amine CAS Name: N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine IUPAC Name: N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-(3,5-dibromo-2-methoxy-benzyl)amine Formula: C15H13Br2NO3 MolecularWeight: 415.07662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1CNC2=CC3=C(C=C2)OCO3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1CNC2=CC3=C(C=C2)OCO3)Br)Br

InChI

InChI=1S/C15H13Br2NO3/c1-19-15-9(4-10(16)5-12(15)17)7-18-11-2-3-13-14(6-11)21-8-20-13/h2-6,18H,7-8H2,1H3