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

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-14-11-17(15(2)22(14)12-16-7-4-3-5-8-16)18(24)13-27-19-9-6-10-21-20(19)23(25)26/h3-11H,12-13H2,1-2H3