1-(4-bromophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one Openeye Name: 1-(4-bromophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one CAS Name: 1-(4-bromophenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-1-one Traditional Name: 1-(4-bromophenyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propan-1-one Formula: C19H19BrN2O6S MolecularWeight: 483.33296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN2O6S/c1-13(19(23)14-4-6-15(20)7-5-14)28-18-9-8-16(12-17(18)22(24)25)29(26,27)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11H2,1H3