1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-6,7-dimethoxy-3-isoquinolone Formula: C20H20N2O7 MolecularWeight: 400.382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=O)NC(=C2C=C1OC)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC2=CC(=O)NC(=C2C=C1OC)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H20N2O7/c1-26-16-6-11-8-20(23)21-14(13(11)9-18(16)28-3)5-12-7-17(27-2)19(29-4)10-15(12)22(24)25/h6-10H,5H2,1-4H3,(H,21,23)