(E)-3-[2-(4-bromanylphenoxy)-5-nitro-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[2-(4-bromanylphenoxy)-5-nitro-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[2-(4-bromophenoxy)-5-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[2-(4-bromophenoxy)-5-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[2-(4-bromophenoxy)-5-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[2-(4-bromophenoxy)-5-nitro-phenyl]acrylonitrile Formula: C21H13BrN2O5S MolecularWeight: 485.30732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C21H13BrN2O5S/c22-16-6-9-18(10-7-16)29-21-11-8-17(24(25)26)12-15(21)13-20(14-23)30(27,28)19-4-2-1-3-5-19/h1-13H/b20-13+