N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-amine

Systemtic Name: N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-amine Openeye Name: N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine CAS Name: N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine IUPAC Name: N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine Traditional Name: 2,2-diethoxyethyl-methyl-(7-nitro-3-oxido-benzofurazan-3-ium-4-yl)amine Formula: C13H18N4O6 MolecularWeight: 326.30522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(C)C1=CC=C(C2=NO[N+](=C12)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CN(C)C1=CC=C(C2=NO[N+](=C12)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C13H18N4O6/c1-4-21-11(22-5-2)8-15(3)10-7-6-9(16(18)19)12-13(10)17(20)23-14-12/h6-7,11H,4-5,8H2,1-3H3