2-[3-[(2-fluorophenyl)methoxy]-2-oxidanyl-propyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-[(2-fluorophenyl)methoxy]-2-oxidanyl-propyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[3-[(2-fluorophenyl)methoxy]-2-hydroxy-propyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[3-(2-fluorobenzyl)oxy-2-hydroxy-propyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H15FN2O6 MolecularWeight: 374.319903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN2O6/c19-16-4-2-1-3-11(16)9-27-10-13(22)8-20-17(23)14-6-5-12(21(25)26)7-15(14)18(20)24/h1-7,13,22H,8-10H2