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

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

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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#N

Isomeric SMILES

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

InChI

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