N',N'-diethyl-N-(7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine

Systemtic Name: N',N'-diethyl-N-(7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine Openeye Name: N',N'-diethyl-N-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine CAS Name: N',N'-diethyl-N-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine IUPAC Name: N',N'-diethyl-N-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine Traditional Name: diethyl-[3-[(7-nitro-3-oxido-benzofurazan-3-ium-4-yl)amino]propyl]amine Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=CC=C(C2=NO[N+](=C12)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCNC1=CC=C(C2=NO[N+](=C12)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O4/c1-3-16(4-2)9-5-8-14-10-6-7-11(17(19)20)12-13(10)18(21)22-15-12/h6-7,14H,3-5,8-9H2,1-2H3