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

Systemtic Name: 2-[[4-nitro-7-(2-pyridin-3-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[4-nitro-7-[2-(3-pyridyl)-1-piperidyl]-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[4-nitro-7-[2-(3-pyridinyl)-1-piperidinyl]-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[4-nitro-7-(2-pyridin-3-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[4-nitro-7-[2-(3-pyridyl)piperidino]benzofurazan-5-yl]amino]ethanol Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

InChI

InChI=1S/C18H20N6O4/c25-9-7-20-13-10-15(16-17(22-28-21-16)18(13)24(26)27)23-8-2-1-5-14(23)12-4-3-6-19-11-12/h3-4,6,10-11,14,20,25H,1-2,5,7-9H2