5-azido-2-bromanyl-2-methyl-1-(4-methylphenyl)pentan-1-one

Systemtic Name: 5-azido-2-bromanyl-2-methyl-1-(4-methylphenyl)pentan-1-one Openeye Name: 5-azido-2-bromo-2-methyl-1-(p-tolyl)pentan-1-one CAS Name: 5-azido-2-bromo-2-methyl-1-(4-methylphenyl)-1-pentanone IUPAC Name: 5-azido-2-bromo-2-methyl-1-(4-methylphenyl)pentan-1-one Traditional Name: 5-azido-2-bromo-2-methyl-1-(p-tolyl)pentan-1-one Formula: C13H16BrN3O MolecularWeight: 310.18964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)(CCCN=[N+]=[N-])Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)(CCCN=[N+]=[N-])Br

InChI

InChI=1S/C13H16BrN3O/c1-10-4-6-11(7-5-10)12(18)13(2,14)8-3-9-16-17-15/h4-7H,3,8-9H2,1-2H3