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

Systemtic Name: 2-[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-3-(2-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=CC=C(C(=C1)OCC(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O)F

Isomeric SMILES

C1=CC=C(C(=C1)OC[C@H](CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O)F

InChI

InChI=1S/C17H13FN2O6/c18-12-5-1-2-7-14(12)26-9-10(21)8-19-16(22)11-4-3-6-13(20(24)25)15(11)17(19)23/h1-7,10,21H,8-9H2/t10-/m0/s1