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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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