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

Systemtic Name: 2-[2-(4-nitrophenyl)ethyl]-3-oxidanyl-4,5-dipentoxy-3H-isoindol-1-one Openeye Name: 3-hydroxy-2-[2-(4-nitrophenyl)ethyl]-4,5-dipentoxy-isoindolin-1-one CAS Name: 3-hydroxy-2-[2-(4-nitrophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one IUPAC Name: 3-hydroxy-2-[2-(4-nitrophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one Traditional Name: 4,5-diamoxy-3-hydroxy-2-[2-(4-nitrophenyl)ethyl]isoindolin-1-one Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C2=C(C=C1)C(=O)N(C2O)CCC3=CC=C(C=C3)[N+](=O)[O-])OCCCCC

Isomeric SMILES

CCCCCOC1=C(C2=C(C=C1)C(=O)N(C2O)CCC3=CC=C(C=C3)[N+](=O)[O-])OCCCCC

InChI

InChI=1S/C26H34N2O6/c1-3-5-7-17-33-22-14-13-21-23(24(22)34-18-8-6-4-2)26(30)27(25(21)29)16-15-19-9-11-20(12-10-19)28(31)32/h9-14,26,30H,3-8,15-18H2,1-2H3