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

Systemtic Name: methyl 3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]butanoate Openeye Name: methyl 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]butanoate CAS Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]butanoic acid methyl ester IUPAC Name: methyl 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]butanoate Traditional Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]butyric acid methyl ester Formula: C12H13F2NO4 MolecularWeight: 273.232726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO4/c1-7(5-11(16)17-2)15-8-3-4-9-10(6-8)19-12(13,14)18-9/h3-4,6-7,15H,5H2,1-2H3