N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3,5-dinitro-benzamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3,5-dinitrobenzamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3,5-dinitro-benzamide Formula: C27H24N4O9 MolecularWeight: 548.50086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C27H24N4O9/c1-37-23-10-15-5-6-28-22(20(15)13-25(23)39-3)9-16-11-24(38-2)26(40-4)14-21(16)29-27(32)17-7-18(30(33)34)12-19(8-17)31(35)36/h5-8,10-14H,9H2,1-4H3,(H,29,32)