3-(4-chlorophenyl)-3-(2,2-dimethyl-3-oxidanyl-propoxy)-2-[(4-nitrophenyl)methyl]isoindol-1-one

Systemtic Name: 3-(4-chlorophenyl)-3-(2,2-dimethyl-3-oxidanyl-propoxy)-2-[(4-nitrophenyl)methyl]isoindol-1-one Openeye Name: 3-(4-chlorophenyl)-3-(3-hydroxy-2,2-dimethyl-propoxy)-2-[(4-nitrophenyl)methyl]isoindolin-1-one CAS Name: 3-(4-chlorophenyl)-3-(3-hydroxy-2,2-dimethylpropoxy)-2-[(4-nitrophenyl)methyl]-1-isoindolone IUPAC Name: 3-(4-chlorophenyl)-3-(3-hydroxy-2,2-dimethylpropoxy)-2-[(4-nitrophenyl)methyl]isoindol-1-one Traditional Name: 3-(4-chlorophenyl)-3-(3-hydroxy-2,2-dimethyl-propoxy)-2-(4-nitrobenzyl)isoindolin-1-one Formula: C26H25ClN2O5 MolecularWeight: 480.9401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC1(C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(CO)COC1(C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN2O5/c1-25(2,16-30)17-34-26(19-9-11-20(27)12-10-19)23-6-4-3-5-22(23)24(31)28(26)15-18-7-13-21(14-8-18)29(32)33/h3-14,30H,15-17H2,1-2H3