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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)F)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)F)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClFN3O4S/c17-10-1-2-11(12(18)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