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

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-one Openeye Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-one CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-propanone IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-2-one Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetone Formula: C13H16N2O6S MolecularWeight: 328.34094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6S/c1-10(16)9-21-13-5-4-11(8-12(13)15(17)18)22(19,20)14-6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3