(4-bromophenyl)methyl 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: (4-bromophenyl)methyl 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: (4-bromophenyl)methyl 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid (4-bromobenzyl) ester Formula: C15H12BrNO4S MolecularWeight: 382.22908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO4S/c16-12-7-5-11(6-8-12)9-21-15(18)10-22-14-4-2-1-3-13(14)17(19)20/h1-8H,9-10H2