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

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-14-11-18(15(2)22(14)9-8-17-5-4-10-29-17)19(24)13-28-21-12-16(23(25)26)6-7-20(21)27-3/h4-7,10-12H,8-9,13H2,1-3H3