(4-bromanyl-2-fluoranyl-phenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C15H11BrFNO4S MolecularWeight: 400.219543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C15H11BrFNO4S/c16-11-2-1-10(14(17)7-11)8-22-15(19)9-23-13-5-3-12(4-6-13)18(20)21/h1-7H,8-9H2