[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(5-chloro-2-fluoro-benzoyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C16H13ClFN3O4S MolecularWeight: 397.808523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C16H13ClFN3O4S/c17-10-1-2-12(18)11(9-10)15(22)19-5-7-20(8-6-19)16(23)13-3-4-14(26-13)21(24)25/h1-4,9H,5-8H2