4-nitro-7-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,1,3-benzoxadiazole

Systemtic Name: 4-nitro-7-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,1,3-benzoxadiazole Openeye Name: 4-nitro-7-[4-[3-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2,1,3-benzoxadiazole CAS Name: 4-nitro-7-[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2,1,3-benzoxadiazole IUPAC Name: 4-nitro-7-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,1,3-benzoxadiazole Traditional Name: 4-nitro-7-[4-[3-(trifluoromethyl)-2-pyridyl]piperazino]benzofurazan Formula: C16H13F3N6O3 MolecularWeight: 394.30803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C3=NON=C23)[N+](=O)[O-])C4=C(C=CC=N4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C3=NON=C23)[N+](=O)[O-])C4=C(C=CC=N4)C(F)(F)F

InChI

InChI=1S/C16H13F3N6O3/c17-16(18,19)10-2-1-5-20-15(10)24-8-6-23(7-9-24)11-3-4-12(25(26)27)14-13(11)21-28-22-14/h1-5H,6-9H2