1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(2-nitropyridin-3-yl)oxy-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-10(2)18-11(3)8-13(12(18)4)14(20)9-23-15-6-5-7-17-16(15)19(21)22/h5-8,10H,9H2,1-4H3