2,4-diethylisoindole-1,3-dione; propanedioic acid

Systemtic Name: 2,4-diethylisoindole-1,3-dione; propanedioic acid Openeye Name: 2,4-diethylisoindoline-1,3-dione; malonic acid CAS Name: 2,4-diethylisoindole-1,3-dione; propanedioic acid IUPAC Name: 2,4-diethylisoindole-1,3-dione; propanedioic acid Traditional Name: 2,4-diethylisoindoline-1,3-quinone; malonic acid Formula: C15H17NO6 MolecularWeight: 307.29858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C(=O)N(C2=O)CC.C(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1C(=O)N(C2=O)CC.C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO2.C3H4O4/c1-3-8-6-5-7-9-10(8)12(15)13(4-2)11(9)14;4-2(5)1-3(6)7/h5-7H,3-4H2,1-2H3;1H2,(H,4,5)(H,6,7)