3-[(4-methylphenyl)amino]hexane-2,5-dione

Systemtic Name: 3-[(4-methylphenyl)amino]hexane-2,5-dione Openeye Name: 3-(4-methylanilino)hexane-2,5-dione CAS Name: 3-(4-methylanilino)hexane-2,5-dione IUPAC Name: 3-(4-methylanilino)hexane-2,5-dione Traditional Name: 3-(p-toluidino)hexane-2,5-dione Formula: C13H17NO2 MolecularWeight: 219.27958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(CC(=O)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(CC(=O)C)C(=O)C

InChI

InChI=1S/C13H17NO2/c1-9-4-6-12(7-5-9)14-13(11(3)16)8-10(2)15/h4-7,13-14H,8H2,1-3H3