O3-tert-butyl O1-ethyl 2-[bis(fluoranyl)methyl]-2-[(E)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]prop-1-enyl]propanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-[bis(fluoranyl)methyl]-2-[(E)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]prop-1-enyl]propanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-(difluoromethyl)-2-[(E)-3-(1,3-dioxoisoindolin-2-yl)prop-1-enyl]propanedioate CAS Name: 2-(difluoromethyl)-2-[(E)-3-(1,3-dioxo-2-isoindolyl)prop-1-enyl]propanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-(difluoromethyl)-2-[(E)-3-(1,3-dioxoisoindol-2-yl)prop-1-enyl]propanedioate Traditional Name: 2-(difluoromethyl)-2-[(E)-3-phthalimidoprop-1-enyl]malonic acid O1-tert-butyl ester O3-ethyl ester Formula: C21H23F2NO6 MolecularWeight: 423.407226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=CCN1C(=O)C2=CC=CC=C2C1=O)(C(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(/C=C/CN1C(=O)C2=CC=CC=C2C1=O)(C(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H23F2NO6/c1-5-29-18(27)21(17(22)23,19(28)30-20(2,3)4)11-8-12-24-15(25)13-9-6-7-10-14(13)16(24)26/h6-11,17H,5,12H2,1-4H3/b11-8+