[(4,5-dimethoxy-2-nitro-phenyl)-isoquinolin-1-yl-methyl] benzoate

Systemtic Name: [(4,5-dimethoxy-2-nitro-phenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(4,5-dimethoxy-2-nitro-phenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(4,5-dimethoxy-2-nitrophenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(4,5-dimethoxy-2-nitrophenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(4,5-dimethoxy-2-nitro-phenyl)-(1-isoquinolyl)methyl] ester Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H20N2O6/c1-31-21-14-19(20(27(29)30)15-22(21)32-2)24(33-25(28)17-9-4-3-5-10-17)23-18-11-7-6-8-16(18)12-13-26-23/h3-15,24H,1-2H3