5-chloranyl-2-phenethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-phenethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-phenethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-phenethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-phenethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-phenethyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H16ClNO2 MolecularWeight: 289.75674

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=O)N(C2=O)CCC3=CC=CC=C3)Cl

Isomeric SMILES

C1C=C(CC2C1C(=O)N(C2=O)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H16ClNO2/c17-12-6-7-13-14(10-12)16(20)18(15(13)19)9-8-11-4-2-1-3-5-11/h1-6,13-14H,7-10H2