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

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(5-fluoranyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(5-fluoro-2-nitro-phenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(5-fluoro-2-nitrophenoxy)ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(5-fluoro-2-nitro-phenoxy)ethanone Formula: C21H19FN2O4 MolecularWeight: 382.384963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN2O4/c1-14-10-18(15(2)23(14)12-16-6-4-3-5-7-16)20(25)13-28-21-11-17(22)8-9-19(21)24(26)27/h3-11H,12-13H2,1-2H3