1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone Openeye Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4/c1-12-4-9-19(20(22-12)24(26)27)28-11-18(25)17-10-13(2)23(14(17)3)16-7-5-15(21)6-8-16/h4-10H,11H2,1-3H3