(phenylmethyl) 4-[[7-(4-nitro-3-phenylmethoxy-phenoxy)-1,10-phenanthrolin-4-yl]oxy]benzoate

Systemtic Name: (phenylmethyl) 4-[[7-(4-nitro-3-phenylmethoxy-phenoxy)-1,10-phenanthrolin-4-yl]oxy]benzoate Openeye Name: benzyl 4-[[7-(3-benzyloxy-4-nitro-phenoxy)-1,10-phenanthrolin-4-yl]oxy]benzoate CAS Name: 4-[[7-(4-nitro-3-phenylmethoxyphenoxy)-1,10-phenanthrolin-4-yl]oxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[7-(4-nitro-3-phenylmethoxyphenoxy)-1,10-phenanthrolin-4-yl]oxy]benzoate Traditional Name: 4-[[7-(3-benzoxy-4-nitro-phenoxy)-1,10-phenanthrolin-4-yl]oxy]benzoic acid benzyl ester Formula: C39H27N3O7 MolecularWeight: 649.64758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)OC3=C4C=CC5=C(C=CN=C5C4=NC=C3)OC6=CC=C(C=C6)C(=O)OCC7=CC=CC=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)OC3=C4C=CC5=C(C=CN=C5C4=NC=C3)OC6=CC=C(C=C6)C(=O)OCC7=CC=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C39H27N3O7/c43-39(47-25-27-9-5-2-6-10-27)28-11-13-29(14-12-28)48-34-19-21-40-37-31(34)16-17-32-35(20-22-41-38(32)37)49-30-15-18-33(42(44)45)36(23-30)46-24-26-7-3-1-4-8-26/h1-23H,24-25H2