1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-15-9-10-21(22(23-15)25(27)28)29-14-20(26)19-13-16(2)24(17(19)3)12-11-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3