CAS Registry Number®
2096337-78-7
Molecular Formula
C13H20BN3O5Molecular Mass
309.13Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2096337-78-7 (retrieved ) (CAS RN: 2096337-78-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C13H20BN3O5/c1-13(2,3)22-12(18)17-5-4-10(8-17)21-11-15-6-9(7-16-11)14(19)20/h6-7,10,19-20H,4-5,8H2,1-3H3
InChIKey
InChIKey=AITHNJSHQLUWRP-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)N1CC(OC=2N=CC(B(O)O)=CN2)CC1
Canonical SMILES
O=C(OC(C)(C)C)N1CCC(OC2=NC=C(C=N2)B(O)O)C1
