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

Systemtic Name: 3-[[7-(2-dimethylaminoethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(2-dimethylaminoethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-(2-dimethylaminoethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(2-dimethylaminoethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-(2-dimethylaminoethylamino)-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C13H20N6O4 MolecularWeight: 324.3357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCCO

Isomeric SMILES

CN(C)CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C13H20N6O4/c1-18(2)6-5-15-9-8-10(14-4-3-7-20)13(19(21)22)12-11(9)16-23-17-12/h8,14-15,20H,3-7H2,1-2H3