5,6,7-trimethoxy-1-[(2-nitro-5-phenylmethoxy-phenyl)methyl]isoquinoline

Systemtic Name: 5,6,7-trimethoxy-1-[(2-nitro-5-phenylmethoxy-phenyl)methyl]isoquinoline Openeye Name: 1-[(5-benzyloxy-2-nitro-phenyl)methyl]-5,6,7-trimethoxy-isoquinoline CAS Name: 5,6,7-trimethoxy-1-[(2-nitro-5-phenylmethoxyphenyl)methyl]isoquinoline IUPAC Name: 5,6,7-trimethoxy-1-[(2-nitro-5-phenylmethoxyphenyl)methyl]isoquinoline Traditional Name: 1-(5-benzoxy-2-nitro-benzyl)-5,6,7-trimethoxy-isoquinoline Formula: C26H24N2O6 MolecularWeight: 460.47856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=CN=C(C2=C1)CC3=C(C=CC(=C3)OCC4=CC=CC=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C2C=CN=C(C2=C1)CC3=C(C=CC(=C3)OCC4=CC=CC=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C26H24N2O6/c1-31-24-15-21-20(25(32-2)26(24)33-3)11-12-27-22(21)14-18-13-19(9-10-23(18)28(29)30)34-16-17-7-5-4-6-8-17/h4-13,15H,14,16H2,1-3H3