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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-5-nitro-2,1,3-benzoxadiazol-4-amine Openeye Name: N-(2-bromo-4-methyl-phenyl)-5-nitro-2,1,3-benzoxadiazol-4-amine CAS Name: N-(2-bromo-4-methylphenyl)-5-nitro-2,1,3-benzoxadiazol-4-amine IUPAC Name: N-(2-bromo-4-methylphenyl)-5-nitro-2,1,3-benzoxadiazol-4-amine Traditional Name: (2-bromo-4-methyl-phenyl)-(5-nitrobenzofurazan-4-yl)amine Formula: C13H9BrN4O3 MolecularWeight: 349.13956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=CC3=NON=C32)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=CC3=NON=C32)[N+](=O)[O-])Br

InChI

InChI=1S/C13H9BrN4O3/c1-7-2-3-9(8(14)6-7)15-13-11(18(19)20)5-4-10-12(13)17-21-16-10/h2-6,15H,1H3