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

Systemtic Name: 4-nitro-7-[4-(phenylmethyl)piperazin-1-yl]-2,1,3-benzoxadiazole Openeye Name: 7-(4-benzylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole CAS Name: 4-nitro-7-[4-(phenylmethyl)-1-piperazinyl]-2,1,3-benzoxadiazole IUPAC Name: 7-(4-benzylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole Traditional Name: 4-(4-benzylpiperazino)-7-nitro-benzofurazan Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c23-22(24)15-7-6-14(16-17(15)19-25-18-16)21-10-8-20(9-11-21)12-13-4-2-1-3-5-13/h1-7H,8-12H2