2-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H13FN2O6 MolecularWeight: 360.293323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(COC3=CC=C(C=C3)F)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(COC3=CC=C(C=C3)F)O

InChI

InChI=1S/C17H13FN2O6/c18-10-4-6-12(7-5-10)26-9-11(21)8-19-16(22)13-2-1-3-14(20(24)25)15(13)17(19)23/h1-7,11,21H,8-9H2