1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-14-12-17(15(2)21(14)10-9-16-6-5-11-27-16)19(23)13-26-20-8-4-3-7-18(20)22(24)25/h3-8,11-12H,9-10,13H2,1-2H3