1-(2,5-dimethylthiophen-3-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(4-nitrophenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(4-nitrophenyl)piperazino]butane-1,4-dione Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-14-13-18(15(2)28-14)19(24)7-8-20(25)22-11-9-21(10-12-22)16-3-5-17(6-4-16)23(26)27/h3-6,13H,7-12H2,1-2H3