14 14 0 0000 0 0 0 0 0999 V2000 4.6073 -2.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.3036 -6.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4554 -4.2988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1518 -4.2988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.3036 -2.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.9708 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.6365 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4554 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1518 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3036 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2988 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.3084 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3036 -4.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 2 10 2 0 3 14 2 0 4 9 1 0 4 14 1 0 5 10 1 0 5 14 1 0 6 7 1 0 6 8 1 0 6 9 1 0 6 10 1 0 7 11 1 0 7 12 1 0 8 13 1 0 M END > InChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14) > HHLXJTDUHFBYAU-UHFFFAOYSA-N > 1/1/N:13,11,12,8,7,9,10,14,6,4,5,1,2,3/E:(2,3)(6,7)(10,11)(12,13)/rA:14nOOONNCCCCCCCCC/rB:;;;;;s6;s6;d1s4s6;d2s5s6;s7;s7;s8;d3s4s5;/rC:4.6073,-2.3036,0;0,-2.3036,0;2.3036,-6.2941,0;3.4554,-4.2988,0;1.1518,-4.2988,0;2.3036,-2.3036,0;2.9708,-1.1518,0;1.6365,-1.1518,0;3.4554,-2.9708,0;1.1518,-2.9708,0;2.3036,0,0;4.2988,-1.1518,0;.3084,-1.1518,0;2.3036,-4.966,0; > C9 H14 N2 O3 > 198.2191 > O=C1C(C(NC(N1)=O)=O)(CC)C(C)C > 6213 $$$$