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

Systemtic Name: 2-[[7-[(5-bromanylpyridin-2-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol Openeye Name: 2-[[7-[(5-bromo-2-pyridyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol CAS Name: 2-[[7-[(5-bromo-2-pyridinyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol IUPAC Name: 2-[[7-[(5-bromopyridin-2-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol Traditional Name: 2-[[7-[(5-bromo-2-pyridyl)amino]-4-nitro-benzofurazan-5-yl]-methyl-amino]ethanol Formula: C14H13BrN6O4 MolecularWeight: 409.19482

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C2=NON=C2C(=C1)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CN(CCO)C1=C(C2=NON=C2C(=C1)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN6O4/c1-20(4-5-22)10-6-9(17-11-3-2-8(15)7-16-11)12-13(19-25-18-12)14(10)21(23)24/h2-3,6-7,22H,4-5H2,1H3,(H,16,17)