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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C16H16BrNO2/c1-9-3-5-12-13(7-9)16(20)18(15(12)19)11-4-6-14(17)10(2)8-11/h3-4,6,8,12-13H,5,7H2,1-2H3/t12-,13-/m1/s1