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

Systemtic Name: 2-[3-(4-fluoranylphenoxy)propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(4-fluorophenoxy)propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(4-fluorophenoxy)propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[3-(4-fluorophenoxy)propyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-(4-fluorophenoxy)propyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H13FN2O5 MolecularWeight: 344.293923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCOC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN2O5/c18-11-5-7-12(8-6-11)25-10-2-9-19-16(21)13-3-1-4-14(20(23)24)15(13)17(19)22/h1,3-8H,2,9-10H2