(5-methyl-4-nitro-thiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-methyl-4-nitro-thiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (5-methyl-4-nitro-2-thienyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (5-methyl-4-nitro-2-thiophenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-methyl-4-nitrothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (5-methyl-4-nitro-2-thienyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C17H15F3N4O5S MolecularWeight: 444.38501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15F3N4O5S/c1-10-13(23(26)27)9-15(30-10)16(25)22-6-4-21(5-7-22)12-3-2-11(17(18,19)20)8-14(12)24(28)29/h2-3,8-9H,4-7H2,1H3