(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H14FNO6S MolecularWeight: 415.391663

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC=C(S4)[N+](=O)[O-])F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC=C(S4)[N+](=O)[O-])F

InChI

InChI=1S/C20H14FNO6S/c21-15-8-13(10-26-19(23)16-6-7-17(29-16)22(24)25)18-14(9-15)11-27-20(28-18)12-4-2-1-3-5-12/h1-9,20H,10-11H2