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

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic 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-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C21H18ClFN2O4/c1-12-17(19(22)25(2)24-12)20(26)27-10-14-8-16(23)9-15-11-28-21(29-18(14)15)13-6-4-3-5-7-13/h3-9,21H,10-11H2,1-2H3