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

Systemtic Name: 2-[[7-(1-adamantylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol Openeye Name: 2-[[7-(1-adamantylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol CAS Name: 2-[[7-(1-adamantylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol IUPAC Name: 2-[[7-(1-adamantylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol Traditional Name: 2-[[7-(1-adamantylamino)-4-nitro-benzofurazan-5-yl]-methyl-amino]ethanol Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C2=NON=C2C(=C1)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CN(CCO)C1=C(C2=NON=C2C(=C1)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4/c1-23(2-3-25)15-7-14(16-17(22-28-21-16)18(15)24(26)27)20-19-8-11-4-12(9-19)6-13(5-11)10-19/h7,11-13,20,25H,2-6,8-10H2,1H3