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

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H17FN2O5 MolecularWeight: 384.357783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=C3C(=CC(=C2)F)COCO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=C3C(=CC(=C2)F)COCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H17FN2O5/c1-25-17-9-23(16-5-3-2-4-6-16)22-18(17)20(24)27-11-14-8-15(21)7-13-10-26-12-28-19(13)14/h2-9H,10-12H2,1H3