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

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4/c1-12(2)7-9-20-13(3)10-15(14(20)4)16(22)11-25-17-6-5-8-19-18(17)21(23)24/h5-6,8,10,12H,7,9,11H2,1-4H3