ethyl 4-(7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazine-1-carboxylate CAS Name: 4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazine-1-carboxylate Traditional Name: 4-(7-nitro-3-oxido-benzofurazan-3-ium-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C13H15N5O6 MolecularWeight: 337.2881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O6/c1-2-23-13(19)16-7-5-15(6-8-16)10-4-3-9(17(20)21)11-12(10)18(22)24-14-11/h3-4H,2,5-8H2,1H3