2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H17NO2 MolecularWeight: 255.31168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3CC=CCC3C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3CC=CCC3C2=O)C

InChI

InChI=1S/C16H17NO2/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16(17)19/h3-4,7-9,13-14H,5-6H2,1-2H3