4-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2,1,3-benzoxadiazole

Systemtic Name: 4-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2,1,3-benzoxadiazole Openeye Name: 4-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2,1,3-benzoxadiazole CAS Name: 4-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2,1,3-benzoxadiazole IUPAC Name: 4-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2,1,3-benzoxadiazole Traditional Name: 4-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]benzofurazan Formula: C17H13F3N6O5 MolecularWeight: 438.31753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N6O5/c18-17(19,20)10-1-3-12(14(9-10)25(27)28)23-5-7-24(8-6-23)13-4-2-11-15(22-31-21-11)16(13)26(29)30/h1-4,9H,5-8H2