(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C14H11BrFNO4 MolecularWeight: 356.143843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=CN3)Br)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=CN3)Br)F

InChI

InChI=1S/C14H11BrFNO4/c15-10-3-12(17-4-10)14(18)20-6-9-2-11(16)1-8-5-19-7-21-13(8)9/h1-4,17H,5-7H2