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

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-bromo-4-fluoro-benzyl) ester Formula: C15H9BrFNO6 MolecularWeight: 398.137463

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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)F)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrFNO6/c16-11-3-9(17)2-1-8(11)6-22-15(19)10-4-13-14(24-7-23-13)5-12(10)18(20)21/h1-5H,6-7H2