2-[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazin-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-(4,5-dimethoxy-2-nitrobenzoyl)piperazin-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazino]-1-(2-thienyl)ethanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC(=O)C3=CC=CS3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC(=O)C3=CC=CS3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O6S/c1-27-16-10-13(14(22(25)26)11-17(16)28-2)19(24)21-7-5-20(6-8-21)12-15(23)18-4-3-9-29-18/h3-4,9-11H,5-8,12H2,1-2H3