6-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(7-nitrobenzofurazan-4-yl)piperazino]nicotinonitrile Formula: C16H13N7O3 MolecularWeight: 351.31952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O3/c17-9-11-1-4-14(18-10-11)22-7-5-21(6-8-22)12-2-3-13(23(24)25)16-15(12)19-26-20-16/h1-4,10H,5-8H2