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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-15-13-18(16(2)23(15)12-10-17-7-4-3-5-8-17)19(25)14-28-20-9-6-11-22-21(20)24(26)27/h3-9,11,13H,10,12,14H2,1-2H3