methyl 4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]butanoate

Systemtic Name: methyl 4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]butanoate Openeye Name: methyl 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]butanoate CAS Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]butanoate Traditional Name: 4-[(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:

COC(=O)CCCNC1=CC2=C(C=C1)OC(O2)(F)F

Isomeric SMILES

COC(=O)CCCNC1=CC2=C(C=C1)OC(O2)(F)F

InChI

InChI=1S/C12H13F2NO4/c1-17-11(16)3-2-6-15-8-4-5-9-10(7-8)19-12(13,14)18-9/h4-5,7,15H,2-3,6H2,1H3