(3aR,9bR)-8-methoxy-3a,4,5,9b-tetrahydrobenzo[e]isoindole-1,3-dione

Systemtic Name: (3aR,9bR)-8-methoxy-3a,4,5,9b-tetrahydrobenzo[e]isoindole-1,3-dione Openeye Name: (3aR,9bR)-8-methoxy-3a,4,5,9b-tetrahydrobenzo[e]isoindole-1,3-dione CAS Name: (3aR,9bR)-8-methoxy-3a,4,5,9b-tetrahydrobenzo[e]isoindole-1,3-dione IUPAC Name: (3aR,9bR)-8-methoxy-3a,4,5,9b-tetrahydrobenzo[e]isoindole-1,3-dione Traditional Name: (3aR,9bR)-8-methoxy-3a,4,5,9b-tetrahydrobenz[e]isoindole-1,3-quinone Formula: C13H13NO3 MolecularWeight: 231.24722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC3C2C(=O)NC3=O)C=C1

Isomeric SMILES

COC1=CC2=C(CC[C@@H]3[C@H]2C(=O)NC3=O)C=C1

InChI

InChI=1S/C13H13NO3/c1-17-8-4-2-7-3-5-9-11(10(7)6-8)13(16)14-12(9)15/h2,4,6,9,11H,3,5H2,1H3,(H,14,15,16)/t9-,11-/m1/s1