5-ethanoyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-ethanoyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-acetyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-acetyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-acetyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-acetyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H15NO3 MolecularWeight: 269.2952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15NO3/c1-10(18)11-7-8-13-14(9-11)16(20)17(15(13)19)12-5-3-2-4-6-12/h2-7,13-14H,8-9H2,1H3