N5-(3-bromanyl-4-methyl-phenyl)-N7,N7-diethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N5-(3-bromanyl-4-methyl-phenyl)-N7,N7-diethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-(3-bromo-4-methyl-phenyl)-N7,N7-diethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N5-(3-bromo-4-methylphenyl)-N7,N7-diethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-(3-bromo-4-methylphenyl)-7-N,7-N-diethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: [6-(3-bromo-4-methyl-anilino)-7-nitro-benzofurazan-4-yl]-diethyl-amine Formula: C17H18BrN5O3 MolecularWeight: 420.26052

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC(=C(C=C3)C)Br

Isomeric SMILES

CCN(CC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC(=C(C=C3)C)Br

InChI

InChI=1S/C17H18BrN5O3/c1-4-22(5-2)14-9-13(19-11-7-6-10(3)12(18)8-11)17(23(24)25)16-15(14)20-26-21-16/h6-9,19H,4-5H2,1-3H3