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

Systemtic Name: 5-methoxy-2-[2-(4-nitrophenyl)ethyl]-3-oxidanyl-4-pentoxy-3H-isoindol-1-one Openeye Name: 3-hydroxy-5-methoxy-2-[2-(4-nitrophenyl)ethyl]-4-pentoxy-isoindolin-1-one CAS Name: 3-hydroxy-5-methoxy-2-[2-(4-nitrophenyl)ethyl]-4-pentoxy-3H-isoindol-1-one IUPAC Name: 3-hydroxy-5-methoxy-2-[2-(4-nitrophenyl)ethyl]-4-pentoxy-3H-isoindol-1-one Traditional Name: 4-amoxy-3-hydroxy-5-methoxy-2-[2-(4-nitrophenyl)ethyl]isoindolin-1-one Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C1C(N(C2=O)CCC3=CC=C(C=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1C(N(C2=O)CCC3=CC=C(C=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C22H26N2O6/c1-3-4-5-14-30-20-18(29-2)11-10-17-19(20)22(26)23(21(17)25)13-12-15-6-8-16(9-7-15)24(27)28/h6-11,22,26H,3-5,12-14H2,1-2H3