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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=CC2=C(C=C1)OC(O2)(F)F

Isomeric SMILES

CC(CC(=O)O)NC1=CC2=C(C=C1)OC(O2)(F)F

InChI

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