3-(4-chlorophenyl)-2-[2-(4-nitrophenyl)ethyl]-3-(4-oxidanylbutoxy)isoindol-1-one

Systemtic Name: 3-(4-chlorophenyl)-2-[2-(4-nitrophenyl)ethyl]-3-(4-oxidanylbutoxy)isoindol-1-one Openeye Name: 3-(4-chlorophenyl)-3-(4-hydroxybutoxy)-2-[2-(4-nitrophenyl)ethyl]isoindolin-1-one CAS Name: 3-(4-chlorophenyl)-3-(4-hydroxybutoxy)-2-[2-(4-nitrophenyl)ethyl]-1-isoindolone IUPAC Name: 3-(4-chlorophenyl)-3-(4-hydroxybutoxy)-2-[2-(4-nitrophenyl)ethyl]isoindol-1-one Traditional Name: 3-(4-chlorophenyl)-3-(4-hydroxybutoxy)-2-[2-(4-nitrophenyl)ethyl]isoindolin-1-one Formula: C26H25ClN2O5 MolecularWeight: 480.9401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)OCCCCO)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)OCCCCO)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25ClN2O5/c27-21-11-9-20(10-12-21)26(34-18-4-3-17-30)24-6-2-1-5-23(24)25(31)28(26)16-15-19-7-13-22(14-8-19)29(32)33/h1-2,5-14,30H,3-4,15-18H2