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

Systemtic Name: (4-bromophenyl)methyl 2-(2-nitrophenyl)sulfonylbenzoate Openeye Name: (4-bromophenyl)methyl 2-(2-nitrophenyl)sulfonylbenzoate CAS Name: 2-(2-nitrophenyl)sulfonylbenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(2-nitrophenyl)sulfonylbenzoate Traditional Name: 2-(2-nitrophenyl)sulfonylbenzoic acid (4-bromobenzyl) ester Formula: C20H14BrNO6S MolecularWeight: 476.29726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H14BrNO6S/c21-15-11-9-14(10-12-15)13-28-20(23)16-5-1-3-7-18(16)29(26,27)19-8-4-2-6-17(19)22(24)25/h1-12H,13H2