5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazole Openeye Name: 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazole Traditional Name: 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-benzofurazan Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C3=C(C4=NON=C4C=C3)[N+](=O)[O-])C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C3=C(C4=NON=C4C=C3)[N+](=O)[O-])C5=CC=CC=C5)OC

InChI

InChI=1S/C23H20N4O5/c1-30-19-12-15-10-11-26(18-9-8-17-21(25-32-24-17)23(18)27(28)29)22(14-6-4-3-5-7-14)16(15)13-20(19)31-2/h3-9,12-13,22H,10-11H2,1-2H3