1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone Formula: C21H19FN2O4 MolecularWeight: 382.384963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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