IUPAC name
2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-2-butenoate
SMILES
CCCCCCC(C)c1cc(cc(c1OC(=O)/C=C/C)N(=O)=O)N(=O)=O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
meptyldinocap
IUPAC name
2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-2-butenoate
SMILES
CCCCCCC(C)c1cc(cc(c1OC(=O)/C=C/C)N(=O)=O)N(=O)=O
INCHI
InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
FORMULA
C18H24N2O6
Common name
meptyldinocap
IUPAC name
2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-2-butenoate
Molecular weight
364.393
clogP
1.949
clogS
-4.777
HBond Acceptor
8
HBond Donor
0
Total Polar Surface Area
94.58
Number of Rings
1
Rotatable Bond
11
