3-(4-chlorophenyl)-2-[(4-nitrophenyl)methyl]-3-(4-oxidanylbut-2-ynoxy)isoindol-1-one

Systemtic Name: 3-(4-chlorophenyl)-2-[(4-nitrophenyl)methyl]-3-(4-oxidanylbut-2-ynoxy)isoindol-1-one Openeye Name: 3-(4-chlorophenyl)-3-(4-hydroxybut-2-ynoxy)-2-[(4-nitrophenyl)methyl]isoindolin-1-one CAS Name: 3-(4-chlorophenyl)-3-(4-hydroxybut-2-ynoxy)-2-[(4-nitrophenyl)methyl]-1-isoindolone IUPAC Name: 3-(4-chlorophenyl)-3-(4-hydroxybut-2-ynoxy)-2-[(4-nitrophenyl)methyl]isoindol-1-one Traditional Name: 3-(4-chlorophenyl)-3-(4-hydroxybut-2-ynoxy)-2-(4-nitrobenzyl)isoindolin-1-one Formula: C25H19ClN2O5 MolecularWeight: 462.88176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)OCC#CCO)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)OCC#CCO)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19ClN2O5/c26-20-11-9-19(10-12-20)25(33-16-4-3-15-29)23-6-2-1-5-22(23)24(30)27(25)17-18-7-13-21(14-8-18)28(31)32/h1-2,5-14,29H,15-17H2