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

Systemtic Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-[4-(4-chlorophenyl)-1-piperazinyl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-[4-(4-chlorophenyl)piperazino]-4-nitro-1-oxido-benzofurazan-1-ium Formula: C16H14ClN5O4 MolecularWeight: 375.76646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O4/c17-11-1-3-12(4-2-11)19-7-9-20(10-8-19)14-6-5-13(21(23)24)15-16(14)22(25)26-18-15/h1-6H,7-10H2