1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone Openeye Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone CAS Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN2O4/c1-13-11-19(14(2)22(13)16-5-3-15(21)4-6-16)20(24)12-27-18-9-7-17(8-10-18)23(25)26/h3-11H,12H2,1-2H3