2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol

Systemtic Name: 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-benzofurazan-5-yl]amino]ethanol Formula: C17H17N5O4 MolecularWeight: 355.34798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H17N5O4/c23-8-6-18-13-9-14(15-16(20-26-19-15)17(13)22(24)25)21-7-5-11-3-1-2-4-12(11)10-21/h1-4,9,18,23H,5-8,10H2