2-[[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[2-[(4-fluorophenoxy)methyl]-4-thiazolyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H12FN3O5S MolecularWeight: 413.379083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CSC(=N3)COC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CSC(=N3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C19H12FN3O5S/c20-11-4-6-13(7-5-11)28-9-16-21-12(10-29-16)8-22-18(24)14-2-1-3-15(23(26)27)17(14)19(22)25/h1-7,10H,8-9H2