N-[2-chloranyl-5-(trifluoromethyl)phenyl]-5,7-dinitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-amine

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-5,7-dinitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-(5,7-dinitro-3-oxido-benzofurazan-3-ium-4-yl)amine Formula: C13H5ClF3N5O6 MolecularWeight: 419.65691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)NC2=C(C=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)NC2=C(C=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H5ClF3N5O6/c14-6-2-1-5(13(15,16)17)3-7(6)18-10-8(20(23)24)4-9(21(25)26)11-12(10)22(27)28-19-11/h1-4,18H