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

Systemtic Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]sulfonylbenzonitrile Formula: C18H14F3N5O6S MolecularWeight: 485.39387

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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-])S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N5O6S/c19-18(20,21)13-9-15(25(27)28)17(16(10-13)26(29)30)23-5-7-24(8-6-23)33(31,32)14-3-1-12(11-22)2-4-14/h1-4,9-10H,5-8H2