[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]-(2-thienyl)methanone Formula: C16H13F3N4O5S MolecularWeight: 430.35843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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