1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O5S/c1-13-9-17(14(2)21(13)11-16-5-4-8-28-16)18(23)12-27-20-10-15(22(24)25)6-7-19(20)26-3/h4-10H,11-12H2,1-3H3