1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-fluoranyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-fluoranyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-fluoro-2-nitro-phenoxy)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(5-fluoro-2-nitrophenoxy)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-fluoro-2-nitro-phenoxy)ethanone Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN2O4/c1-15-12-19(16(2)24(15)11-10-17-6-4-3-5-7-17)21(26)14-29-22-13-18(23)8-9-20(22)25(27)28/h3-9,12-13H,10-11,14H2,1-2H3