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

Systemtic Name: N-[4-chloranyl-2-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine Openeye Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine CAS Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine Traditional Name: [4-chloro-2-(trifluoromethyl)phenyl]-(5,7-dinitrobenzofurazan-4-yl)amine Formula: C13H5ClF3N5O5 MolecularWeight: 403.65751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(F)(F)F)NC2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(F)(F)F)NC2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H5ClF3N5O5/c14-5-1-2-7(6(3-5)13(15,16)17)18-10-8(21(23)24)4-9(22(25)26)11-12(10)20-27-19-11/h1-4,18H