[2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-(2,5-difluorophenyl)-2-oxo-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluorophenyl)-2-oxoethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-(2,5-difluorophenyl)-2-keto-ethyl] ester Formula: C20H16F2O5 MolecularWeight: 374.334846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)OCC(=O)C3=C(C=CC(=C3)F)F)OC1

InChI

InChI=1S/C20H16F2O5/c21-14-4-5-16(22)15(11-14)17(23)12-27-20(24)7-3-13-2-6-18-19(10-13)26-9-1-8-25-18/h2-7,10-11H,1,8-9,12H2/b7-3+