1-[3-(aminomethyl)-5-bromanyl-4-oxidanyl-phenyl]propan-1-one

Systemtic Name: 1-[3-(aminomethyl)-5-bromanyl-4-oxidanyl-phenyl]propan-1-one Openeye Name: 1-[3-(aminomethyl)-5-bromo-4-hydroxy-phenyl]propan-1-one CAS Name: 1-[3-(aminomethyl)-5-bromo-4-hydroxyphenyl]-1-propanone IUPAC Name: 1-[3-(aminomethyl)-5-bromo-4-hydroxyphenyl]propan-1-one Traditional Name: 1-[3-(aminomethyl)-5-bromo-4-hydroxy-phenyl]propan-1-one Formula: C10H12BrNO2 MolecularWeight: 258.11178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C(=C1)Br)O)CN

Isomeric SMILES

CCC(=O)C1=CC(=C(C(=C1)Br)O)CN

InChI

InChI=1S/C10H12BrNO2/c1-2-9(13)6-3-7(5-12)10(14)8(11)4-6/h3-4,14H,2,5,12H2,1H3