2-[2-(4-nitrophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one

Systemtic Name: 2-[2-(4-nitrophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one Openeye Name: 2-[2-(4-nitrophenyl)ethyl]-4,5-dipentoxy-isoindolin-1-one CAS Name: 2-[2-(4-nitrophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one IUPAC Name: 2-[2-(4-nitrophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one Traditional Name: 4,5-diamoxy-2-[2-(4-nitrophenyl)ethyl]isoindolin-1-one Formula: C26H34N2O5 MolecularWeight: 454.55856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C2=C(C=C1)C(=O)N(C2)CCC3=CC=C(C=C3)[N+](=O)[O-])OCCCCC

Isomeric SMILES

CCCCCOC1=C(C2=C(C=C1)C(=O)N(C2)CCC3=CC=C(C=C3)[N+](=O)[O-])OCCCCC

InChI

InChI=1S/C26H34N2O5/c1-3-5-7-17-32-24-14-13-22-23(25(24)33-18-8-6-4-2)19-27(26(22)29)16-15-20-9-11-21(12-10-20)28(30)31/h9-14H,3-8,15-19H2,1-2H3