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

Systemtic Name: 3-[[7-(1,3-benzodioxol-5-ylmethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(1,3-benzodioxol-5-ylmethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-(1,3-benzodioxol-5-ylmethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(1,3-benzodioxol-5-ylmethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-(piperonylamino)benzofurazan-5-yl]amino]propan-1-ol Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C17H17N5O6/c23-5-1-4-18-12-7-11(15-16(21-28-20-15)17(12)22(24)25)19-8-10-2-3-13-14(6-10)27-9-26-13/h2-3,6-7,18-19,23H,1,4-5,8-9H2