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

Systemtic Name: 2-(3-chloranyl-4-phenoxy-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(3-chloro-4-phenoxy-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(3-chloro-4-phenoxyphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(3-chloro-4-phenoxyphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(3-chloro-4-phenoxy-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H18ClNO3 MolecularWeight: 367.82552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H18ClNO3/c1-13-7-9-16-17(11-13)21(25)23(20(16)24)14-8-10-19(18(22)12-14)26-15-5-3-2-4-6-15/h2-8,10,12,16-17H,9,11H2,1H3