N-(5-bromanylpyridin-2-yl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-(5-bromanylpyridin-2-yl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(5-bromo-2-pyridyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(5-bromo-2-pyridinyl)-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(5-bromopyridin-2-yl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: (5-bromo-2-pyridyl)-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amine Formula: C15H13BrN6O3 MolecularWeight: 405.20612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=NON=C3C(=C2)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C3=NON=C3C(=C2)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H13BrN6O3/c16-9-3-4-12(17-8-9)18-10-7-11(21-5-1-2-6-21)15(22(23)24)14-13(10)19-25-20-14/h3-4,7-8H,1-2,5-6H2,(H,17,18)