7-nitro-3-oxidanidyl-4-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 7-nitro-3-oxidanidyl-4-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium Openeye Name: 7-nitro-3-oxido-4-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium CAS Name: 7-nitro-3-oxido-4-(4-phenyl-1-piperazinyl)-2,1,3-benzoxadiazol-3-ium IUPAC Name: 7-nitro-3-oxido-4-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium Traditional Name: 4-nitro-1-oxido-7-(4-phenylpiperazino)benzofurazan-1-ium Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4/c22-20(23)13-6-7-14(16-15(13)17-25-21(16)24)19-10-8-18(9-11-19)12-4-2-1-3-5-12/h1-7H,8-11H2