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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(4-nitrophenoxy)ethanone Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-14-9-19(20(25)12-28-18-6-4-17(5-7-18)24(26)27)15(2)23(14)11-16-3-8-21-22(10-16)30-13-29-21/h3-10H,11-13H2,1-2H3