2-[4-(4-nitro-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(4-nitro-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(4-nitro-1-oxido-benzofurazan-1-ium-5-yl)piperazino]ethanol Formula: C12H15N5O5 MolecularWeight: 309.278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C3=NO[N+](=C3C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C3=NO[N+](=C3C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O5/c18-8-7-14-3-5-15(6-4-14)10-2-1-9-11(12(10)16(19)20)13-22-17(9)21/h1-2,18H,3-8H2