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

Systemtic Name: 3-[(4-nitro-7-pyrrolidin-1-yl-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol Openeye Name: 3-[(4-nitro-7-pyrrolidin-1-yl-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol CAS Name: 3-[[4-nitro-7-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[(4-nitro-7-pyrrolidin-1-yl-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol Traditional Name: 3-[(4-nitro-7-pyrrolidino-benzofurazan-5-yl)amino]propan-1-ol Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C13H17N5O4/c19-7-3-4-14-9-8-10(17-5-1-2-6-17)11-12(16-22-15-11)13(9)18(20)21/h8,14,19H,1-7H2