N-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-3-yl]-3,5-dinitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=CC3=CC(=C(C=C32)OC)OC)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=CC3=CC(=C(C=C32)OC)OC)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

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