1-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(7-nitrobenzofurazan-4-yl)piperazino]ethanone Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4/c1-8(18)15-4-6-16(7-5-15)9-2-3-10(17(19)20)12-11(9)13-21-14-12/h2-3H,4-7H2,1H3