(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H17FN2O6 MolecularWeight: 460.410683

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C25H17FN2O6/c26-18-7-5-15(6-8-18)23-11-21(20-3-1-2-4-22(20)27-23)25(29)33-13-17-10-19(28(30)31)9-16-12-32-14-34-24(16)17/h1-11H,12-14H2