N-(2-bromanyl-4-methyl-5-nitro-phenyl)-5,7-dinitro-2,1,3-benzoxadiazol-4-amine

Systemtic Name: N-(2-bromanyl-4-methyl-5-nitro-phenyl)-5,7-dinitro-2,1,3-benzoxadiazol-4-amine Openeye Name: N-(2-bromo-4-methyl-5-nitro-phenyl)-5,7-dinitro-2,1,3-benzoxadiazol-4-amine CAS Name: N-(2-bromo-4-methyl-5-nitrophenyl)-5,7-dinitro-2,1,3-benzoxadiazol-4-amine IUPAC Name: N-(2-bromo-4-methyl-5-nitrophenyl)-5,7-dinitro-2,1,3-benzoxadiazol-4-amine Traditional Name: (2-bromo-4-methyl-5-nitro-phenyl)-(5,7-dinitrobenzofurazan-4-yl)amine Formula: C13H7BrN6O7 MolecularWeight: 439.13468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[N+](=O)[O-])NC2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])NC2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C13H7BrN6O7/c1-5-2-6(14)7(3-8(5)18(21)22)15-11-9(19(23)24)4-10(20(25)26)12-13(11)17-27-16-12/h2-4,15H,1H3