1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(5-fluoranyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(5-fluoranyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(5-fluoro-2-nitro-phenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-(5-fluoro-2-nitrophenoxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(5-fluoro-2-nitrophenoxy)ethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(5-fluoro-2-nitro-phenoxy)ethanone Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN2O4S/c1-13-10-17(14(2)22(13)8-7-16-4-3-9-28-16)19(24)12-27-20-11-15(21)5-6-18(20)23(25)26/h3-6,9-11H,7-8,12H2,1-2H3