[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H12ClFO6 MolecularWeight: 366.724983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)F

InChI

InChI=1S/C17H12ClFO6/c1-22-14-3-2-9(5-12(14)19)13(20)7-23-17(21)10-4-11(18)16-15(6-10)24-8-25-16/h2-6H,7-8H2,1H3