2-[[2-(4-nitro-2,1,3-benzoxadiazol-7-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(4-nitro-2,1,3-benzoxadiazol-7-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(4-nitro-2,1,3-benzoxadiazol-7-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(4-nitro-2,1,3-benzoxadiazol-7-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(4-nitro-2,1,3-benzoxadiazol-7-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(7-nitrobenzofurazan-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C24H17N5O5 MolecularWeight: 455.42228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C6=NON=C56)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C6=NON=C56)[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O5/c30-23-16-7-3-4-8-17(16)24(31)28(23)13-20-15-6-2-1-5-14(15)11-12-27(20)18-9-10-19(29(32)33)22-21(18)25-34-26-22/h1-10,20H,11-13H2