3,3-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)butan-2-one Openeye Name: 3,3-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)butan-2-one CAS Name: 3,3-dimethyl-1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-butanone IUPAC Name: 3,3-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)butan-2-one Traditional Name: 3,3-dimethyl-1-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)butan-2-one Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-16(2,3)15(19)11-24-14-7-6-12(10-13(14)18(20)21)25(22,23)17-8-4-5-9-17/h6-7,10H,4-5,8-9,11H2,1-3H3