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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-fluoranyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-fluoro-2-nitro-phenoxy)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(5-fluoro-2-nitrophenoxy)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(5-fluoro-2-nitrophenoxy)ethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-fluoro-2-nitro-phenoxy)ethanone Formula: C21H17FN2O6 MolecularWeight: 412.367883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O6/c1-12-7-16(13(2)23(12)15-4-6-19-21(9-15)30-11-29-19)18(25)10-28-20-8-14(22)3-5-17(20)24(26)27/h3-9H,10-11H2,1-2H3