IUPAC name
(1R,2R)-rel-2-nitro-1-phenyl-1,3-propanediyl diacetate
SMILES
CC(=O)OC[C@H]([C@@H](c1ccccc1)OC(=O)C)N(=O)=O.CC(=O)OC[C@@H]([C@H](c1ccccc1)OC(=O)C)N(=O)=O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
fenitropan
IUPAC name
(1R,2R)-rel-2-nitro-1-phenyl-1,3-propanediyl diacetate
SMILES
CC(=O)OC[C@H]([C@@H](c1ccccc1)OC(=O)C)N(=O)=O.CC(=O)OC[C@@H]([C@H](c1ccccc1)OC(=O)C)N(=O)=O
INCHI
InChI=1S/2C13H15NO6/c2*1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h2*3-7,12-13H,8H2,1-2H3/t2*12-,13-/m10/s1
FORMULA
C13H15NO6
Common name
fenitropan
IUPAC name
(1R,2R)-rel-2-nitro-1-phenyl-1,3-propanediyl diacetate
Molecular weight
281.261
clogP
0.480
clogS
-2.152
HBond Acceptor
7
HBond Donor
0
Total Polar Surface Area
86.74
Number of Rings
1
Rotatable Bond
8
6 ,
1
