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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-chloranyl-4-nitro-phenoxy)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-chloro-4-nitro-phenoxy)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-chloro-4-nitrophenoxy)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-chloro-4-nitrophenoxy)ethanone Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C22H19ClN2O6 MolecularWeight: 442.84906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O6/c1-13-7-17(19(26)11-29-20-6-4-16(25(27)28)9-18(20)23)14(2)24(13)10-15-3-5-21-22(8-15)31-12-30-21/h3-9H,10-12H2,1-2H3