2-(2-chloranyl-4-nitro-phenoxy)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]ethanone Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]ethanone CAS Name: 2-(2-chloro-4-nitrophenoxy)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]ethanone Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-13-10-17(14(2)22(13)8-7-16-4-3-9-28-16)19(24)12-27-20-6-5-15(23(25)26)11-18(20)21/h3-6,9-11H,7-8,12H2,1-2H3