2-[[7-[(5-bromanylpyridin-2-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol

Systemtic Name: 2-[[7-[(5-bromanylpyridin-2-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[7-[(5-bromo-2-pyridyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[7-[(5-bromo-2-pyridinyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[7-[(5-bromopyridin-2-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[7-[(5-bromo-2-pyridyl)amino]-4-nitro-benzofurazan-5-yl]amino]ethanol Formula: C13H11BrN6O4 MolecularWeight: 395.16824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1Br)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC(=NC=C1Br)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO

InChI

InChI=1S/C13H11BrN6O4/c14-7-1-2-10(16-6-7)17-8-5-9(15-3-4-21)13(20(22)23)12-11(8)18-24-19-12/h1-2,5-6,15,21H,3-4H2,(H,16,17)