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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCN(CC1)C2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)[N+]1(CCN(CC1)C2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]

InChI

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