N7-(5-bromanylpyridin-2-yl)-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-(5-bromanylpyridin-2-yl)-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-(5-bromo-2-pyridyl)-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(5-bromo-2-pyridinyl)-4-nitro-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-(5-bromopyridin-2-yl)-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: (5-bromo-2-pyridyl)-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amine Formula: C16H10BrN7O3 MolecularWeight: 428.1997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=C(C3=NON=C3C(=C2)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)NC2=C(C3=NON=C3C(=C2)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrN7O3/c17-9-4-5-13(19-8-9)20-10-7-11(21-12-3-1-2-6-18-12)16(24(25)26)15-14(10)22-27-23-15/h1-8H,(H,18,21)(H,19,20)