2-(4-bromanyl-2-methyl-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(4-bromo-2-methyl-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(4-bromo-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(4-bromo-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(4-bromo-2-methyl-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H16BrNO2 MolecularWeight: 334.20774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C16H16BrNO2/c1-9-3-5-12-13(7-9)16(20)18(15(12)19)14-6-4-11(17)8-10(14)2/h3-4,6,8,12-13H,5,7H2,1-2H3