IUPAC name
1,3-bis(1-methylethyl) 5-nitro-1,3-benzenedicarboxylate
SMILES
CC(C)OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)OC(C)C
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
nitrothal-isopropyl
IUPAC name
1,3-bis(1-methylethyl) 5-nitro-1,3-benzenedicarboxylate
SMILES
CC(C)OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)OC(C)C
INCHI
InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3
FORMULA
C14H17NO6
Common name
nitrothal-isopropyl
IUPAC name
1,3-bis(1-methylethyl) 5-nitro-1,3-benzenedicarboxylate
Molecular weight
295.288
clogP
1.140
clogS
-2.818
HBond Acceptor
7
HBond Donor
0
Total Polar Surface Area
86.74
Number of Rings
1
Rotatable Bond
7
