2-butyl-7a-methyl-4,5-dihydro-3aH-isoindole-1,3-dione

Systemtic Name: 2-butyl-7a-methyl-4,5-dihydro-3aH-isoindole-1,3-dione Openeye Name: 2-butyl-7a-methyl-4,5-dihydro-3aH-isoindole-1,3-dione CAS Name: 2-butyl-7a-methyl-4,5-dihydro-3aH-isoindole-1,3-dione IUPAC Name: 2-butyl-7a-methyl-4,5-dihydro-3aH-isoindole-1,3-dione Traditional Name: 2-butyl-7a-methyl-4,5-dihydro-3aH-isoindole-1,3-quinone Formula: C13H19NO2 MolecularWeight: 221.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2CCC=CC2(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2CCC=CC2(C1=O)C

InChI

InChI=1S/C13H19NO2/c1-3-4-9-14-11(15)10-7-5-6-8-13(10,2)12(14)16/h6,8,10H,3-5,7,9H2,1-2H3