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

Systemtic Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)butan-2-one Openeye Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)butan-2-one CAS Name: 3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-butanone IUPAC Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)butan-2-one Traditional Name: 3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)butan-2-one Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6S/c1-10(17)11(2)22-14-6-5-12(9-13(14)16(18)19)23(20,21)15-7-3-4-8-15/h5-6,9,11H,3-4,7-8H2,1-2H3