4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-4-keto-butyric acid Formula: C11H9F2NO5 MolecularWeight: 273.189666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CCC(=O)O)OC(O2)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CCC(=O)O)OC(O2)(F)F

InChI

InChI=1S/C11H9F2NO5/c12-11(13)18-7-2-1-6(5-8(7)19-11)14-9(15)3-4-10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)