1-[4-(4-nitrophenyl)piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N3O4S/c22-16(17-2-1-13-26-17)7-8-18(23)20-11-9-19(10-12-20)14-3-5-15(6-4-14)21(24)25/h1-6,13H,7-12H2