N',N'-diethyl-N-(4-nitro-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine

Systemtic Name: N',N'-diethyl-N-(4-nitro-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine Openeye Name: N',N'-diethyl-N-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine CAS Name: N',N'-diethyl-N-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine IUPAC Name: N',N'-diethyl-N-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine Traditional Name: diethyl-[3-[(4-nitro-1-oxido-benzofurazan-1-ium-5-yl)amino]propyl]amine Formula: C13H19N5O4 MolecularWeight: 309.32106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C(C2=NO[N+](=C2C=C1)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCNC1=C(C2=NO[N+](=C2C=C1)[O-])[N+](=O)[O-]

InChI

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