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

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H15FN2O4 MolecularWeight: 354.331803

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NN3)C4=CC=CC=C4)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NN3)C4=CC=CC=C4)F

InChI

InChI=1S/C19H15FN2O4/c20-15-6-13-9-24-11-26-18(13)14(7-15)10-25-19(23)17-8-16(21-22-17)12-4-2-1-3-5-12/h1-8H,9-11H2,(H,21,22)