748087-72-1.mol by:chem960.com
ChemDraw08031019472D
…………
-0.4538 1.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1295 0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2510 2.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2614 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3620 0.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0306 -1.0812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
1 7 1 0
8 9 1 0
9 10 2 0
10 11 1 0
6 11 2 0
7 8 2 0
12 13 1 0
12 14 2 0
12 15 1 0
1 13 1 0
2 16 2 0
13 17 1 0
3 18 1 0
M END
VABLTSKBHHJOSQ-UHFFFAOYSA-N
1S/C13H16N2O3/c1-8(13(17)18)15-11-5-3-2-4-9(11)6-7-10(14)12(15)16/h2-5,8,10H,6-7,14H2,1H3,(H,17,18)
N1(C(C)C(O)=O)C2=CC=CC=C2CCC(N)C1=O