1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-[(4-methoxy-3-nitro-benzyl)thio]ethanone Formula: C20H21ClN4O6S MolecularWeight: 480.92194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O6S/c1-31-19-5-2-14(10-18(19)25(29)30)12-32-13-20(26)23-8-6-22(7-9-23)16-4-3-15(21)11-17(16)24(27)28/h2-5,10-11H,6-9,12-13H2,1H3