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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN6O4/c15-8-2-3-11(17-7-8)18-9-6-10(16-4-1-5-22)14(21(23)24)13-12(9)19-25-20-13/h2-3,6-7,16,22H,1,4-5H2,(H,17,18)