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

Systemtic Name: 2-[3-chloranyl-4-(4-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-chloro-4-(4-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-chloro-4-(4-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-chloro-4-(4-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-chloro-4-(4-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)Cl

InChI

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