2-[2-[3,4-bis(oxidanyl)phenyl]ethyl-methyl-amino]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]ethyl-methyl-amino]-1-(4-bromophenyl)ethanone Openeye Name: 1-(4-bromophenyl)-2-[2-(3,4-dihydroxyphenyl)ethyl-methyl-amino]ethanone CAS Name: 1-(4-bromophenyl)-2-[2-(3,4-dihydroxyphenyl)ethyl-methylamino]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[2-(3,4-dihydroxyphenyl)ethyl-methylamino]ethanone Traditional Name: 1-(4-bromophenyl)-2-[2-(3,4-dihydroxyphenyl)ethyl-methyl-amino]ethanone Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)O)O)CC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)O)O)CC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrNO3/c1-19(9-8-12-2-7-15(20)16(21)10-12)11-17(22)13-3-5-14(18)6-4-13/h2-7,10,20-21H,8-9,11H2,1H3