[7-(4-nitrophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-(2-fluoranylphenoxy)ethanoate

Systemtic Name: [7-(4-nitrophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-(2-fluoranylphenoxy)ethanoate Openeye Name: [7-(4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(2-fluorophenoxy)acetate CAS Name: 2-(2-fluorophenoxy)acetic acid [7-(4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(2-fluorophenoxy)acetate Traditional Name: 2-(2-fluorophenoxy)acetic acid [2-keto-7-(4-nitrophenyl)-1,3-benzoxathiol-5-yl] ester Formula: C21H12FNO7S MolecularWeight: 441.385883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)S3)F

Isomeric SMILES

C1=CC=C(C(=C1)OCC(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)S3)F

InChI

InChI=1S/C21H12FNO7S/c22-16-3-1-2-4-17(16)28-11-19(24)29-14-9-15(20-18(10-14)31-21(25)30-20)12-5-7-13(8-6-12)23(26)27/h1-10H,11H2