3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-methyl-propanoic acid

Systemtic Name: 3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-methyl-propanoic acid Openeye Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-methyl-propanoic acid CAS Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-methylpropanoic acid IUPAC Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-methylpropanoic acid Traditional Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-methyl-propionic acid Formula: C11H11F2NO4 MolecularWeight: 259.206146

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC2=C(C=C1)OC(O2)(F)F)C(=O)O

Isomeric SMILES

CC(CNC1=CC2=C(C=C1)OC(O2)(F)F)C(=O)O

InChI

InChI=1S/C11H11F2NO4/c1-6(10(15)16)5-14-7-2-3-8-9(4-7)18-11(12,13)17-8/h2-4,6,14H,5H2,1H3,(H,15,16)