[2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C20H14F2N2O7 MolecularWeight: 432.331166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C20H14F2N2O7/c21-20(22)30-14-6-5-11(9-15(14)31-20)23-16(25)10-29-17(26)7-8-24-18(27)12-3-1-2-4-13(12)19(24)28/h1-6,9H,7-8,10H2,(H,23,25)