5-nitro-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]benzonitrile Formula: C18H14F3N5O4 MolecularWeight: 421.33007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N5O4/c19-18(20,21)13-1-3-16(17(10-13)26(29)30)24-7-5-23(6-8-24)15-4-2-14(25(27)28)9-12(15)11-22/h1-4,9-10H,5-8H2