1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c1-13-4-6-20(22(23-13)25(27)28)29-11-18(26)17-8-14(2)24(15(17)3)10-16-5-7-19-21(9-16)31-12-30-19/h4-9H,10-12H2,1-3H3