3-[(8-nitroisoquinolin-5-yl)amino]propan-1-ol

Systemtic Name: 3-[(8-nitroisoquinolin-5-yl)amino]propan-1-ol Openeye Name: 3-[(8-nitro-5-isoquinolyl)amino]propan-1-ol CAS Name: 3-[(8-nitro-5-isoquinolinyl)amino]-1-propanol IUPAC Name: 3-[(8-nitroisoquinolin-5-yl)amino]propan-1-ol Traditional Name: 3-[(8-nitro-5-isoquinolyl)amino]propan-1-ol Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=NC=CC2=C1NCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C=NC=CC2=C1NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c16-7-1-5-14-11-2-3-12(15(17)18)10-8-13-6-4-9(10)11/h2-4,6,8,14,16H,1,5,7H2