3-oxabicyclo[3.1.0]hexane-2,4-dione; 2-phenylethanamine

Systemtic Name: 3-oxabicyclo[3.1.0]hexane-2,4-dione; 2-phenylethanamine Openeye Name: 3-oxabicyclo[3.1.0]hexane-2,4-dione; 2-phenylethanamine CAS Name: 3-oxabicyclo[3.1.0]hexane-2,4-dione; 2-phenylethanamine IUPAC Name: 3-oxabicyclo[3.1.0]hexane-2,4-dione; 2-phenylethanamine Traditional Name: 3-oxabicyclo[3.1.0]hexane-2,4-quinone; phenethylamine Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C1C(=O)OC2=O.C1=CC=C(C=C1)CCN

Isomeric SMILES

C1C2C1C(=O)OC2=O.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C8H11N.C5H4O3/c9-7-6-8-4-2-1-3-5-8;6-4-2-1-3(2)5(7)8-4/h1-5H,6-7,9H2;2-3H,1H2