(4-cyano-2-fluoranyl-phenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (4-cyano-2-fluoro-benzyl) ester Formula: C16H9FN2O6 MolecularWeight: 344.250863

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=C(C=C(C=C3)C#N)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=C(C=C(C=C3)C#N)F)[N+](=O)[O-]

InChI

InChI=1S/C16H9FN2O6/c17-12-3-9(6-18)1-2-10(12)7-23-16(20)11-4-14-15(25-8-24-14)5-13(11)19(21)22/h1-5H,7-8H2