1-[3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanone

Systemtic Name: 1-[3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanone Openeye Name: 1-[3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanone CAS Name: 1-[3-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]ethanone IUPAC Name: 1-[3-(4-nitro-2-pyrrolidin-1-ylsulfonylphenoxy)phenyl]ethanone Traditional Name: 1-[3-(4-nitro-2-pyrrolidinosulfonyl-phenoxy)phenyl]ethanone Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-13(21)14-5-4-6-16(11-14)26-17-8-7-15(20(22)23)12-18(17)27(24,25)19-9-2-3-10-19/h4-8,11-12H,2-3,9-10H2,1H3