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

Systemtic Name: 5-(azepan-1-yl)-N-(5-bromanylpyridin-2-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-(5-bromo-2-pyridyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-(5-bromo-2-pyridinyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-(5-bromopyridin-2-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(5-bromo-2-pyridyl)amine Formula: C17H17BrN6O3 MolecularWeight: 433.25928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN6O3/c18-11-5-6-14(19-10-11)20-12-9-13(23-7-3-1-2-4-8-23)17(24(25)26)16-15(12)21-27-22-16/h5-6,9-10H,1-4,7-8H2,(H,19,20)