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

Systemtic Name: 2-[3-chloranyl-4-(4-methylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-chloro-4-(4-methylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-chloro-4-(4-methylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-chloro-4-(4-methylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-chloro-4-(4-methylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO3/c1-13-3-7-16(8-4-13)27-20-10-6-15(12-19(20)23)24-21(25)17-9-5-14(2)11-18(17)22(24)26/h3-8,10,12,17-18H,9,11H2,1-2H3