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

Systemtic Name: (3aS,7aR)-2-(4-bromanyl-2-methyl-phenyl)-5-methoxy-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aR)-2-(4-bromo-2-methyl-phenyl)-5-methoxy-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aR)-2-(4-bromo-2-methylphenyl)-5-methoxy-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aR)-2-(4-bromo-2-methylphenyl)-5-methoxy-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aR)-2-(4-bromo-2-methyl-phenyl)-5-methoxy-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C3CC=C(CC3C2=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)[C@@H]3CC=C(C[C@@H]3C2=O)OC

InChI

InChI=1S/C16H16BrNO3/c1-9-7-10(17)3-6-14(9)18-15(19)12-5-4-11(21-2)8-13(12)16(18)20/h3-4,6-7,12-13H,5,8H2,1-2H3/t12-,13+/m1/s1