(5-nitrothiophen-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-nitrothiophen-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (5-nitro-3-thienyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (5-nitro-3-thiophenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-nitrothiophen-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (5-nitro-3-thienyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C16H13F3N4O5S MolecularWeight: 430.35843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13F3N4O5S/c17-16(18,19)11-1-2-12(13(8-11)22(25)26)20-3-5-21(6-4-20)15(24)10-7-14(23(27)28)29-9-10/h1-2,7-9H,3-6H2