Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4-Quinolinemethanol, 6-amino-5,8-dimethoxy-, acetate (ester)
1223524-36-4 structure

4-Quinolinemethanol, 6-amino-5,8-dimethoxy-, acetate (ester)

Iupac Name:methyl 5-nitro-2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]benzoate
CAS No.:1223524-36-4
Molecular Weight:341.279
Molecular Formula:C20H22N2O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C16H11N3O6/c1-23-16(20)13-8-11(19(21)22)5-6-14(13)25-12-4-2-3-10(7-12)15-18-17-9-24-15/h2-9H,1H3
InChkey
SAHOEYXCUMMCAB-UHFFFAOYSA-N
Canonical Smiles
COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC=CC(=C2)C3=NN=CO3
Computational chemical data
  • Molecular Weight:341.279g/mol
  • Molecular Formula:C20H22N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:341.065
  • Monoisotopic Mass:341.065
  • Complexity:485
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:120A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAMAAAADAyBmgY2zoAQRECr AiXz2wCSCAAsogA6iCEmbNoMJ7aEtZuKOWDl6BEI6Yf+yDCOAEABQAAIAAAAgAKAABAAAAAAAAAA AA==
 
<