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

Systemtic Name: 7-nitro-3-oxidanidyl-4-[2-(phenylmethyl)piperazin-1-yl]-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(2-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 7-nitro-3-oxido-4-[2-(phenylmethyl)-1-piperazinyl]-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(2-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-(2-benzylpiperazino)-4-nitro-1-oxido-benzofurazan-1-ium Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CC2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(C(CN1)CC2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c23-21(24)14-6-7-15(17-16(14)19-26-22(17)25)20-9-8-18-11-13(20)10-12-4-2-1-3-5-12/h1-7,13,18H,8-11H2