[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C19H15F3O5 MolecularWeight: 380.31461

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)C(F)(F)F)OC1

InChI

InChI=1S/C19H15F3O5/c20-19(21,22)14-4-1-3-13(9-14)18(24)27-11-15(23)12-5-6-16-17(10-12)26-8-2-7-25-16/h1,3-6,9-10H,2,7-8,11H2