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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c1-13-8-16(17(25)11-28-19-4-3-7-22-21(19)24(26)27)14(2)23(13)10-15-5-6-18-20(9-15)30-12-29-18/h3-9H,10-12H2,1-2H3