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

Systemtic Name: 1-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[2,5-dimethyl-1-(1-phenylethyl)-3-pyrrolyl]-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-[2,5-dimethyl-1-(1-phenylethyl)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(N1C(C)C2=CC=CC=C2)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-14-12-18(16(3)23(14)15(2)17-8-5-4-6-9-17)19(25)13-28-20-10-7-11-22-21(20)24(26)27/h4-12,15H,13H2,1-3H3