16 16 0 0000 0 0 0 0 0999 V2000 4.5853 -5.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.3266 -1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.3266 -5.3178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1328 -3.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.4593 -3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4593 -4.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3266 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7888 -3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4593 -1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1328 -4.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4535 -2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4535 -4.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5853 -1.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7830 -2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5853 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 2 8 2 0 3 11 2 0 4 7 1 0 4 11 1 0 5 8 1 0 5 11 1 0 6 7 1 0 6 8 1 0 6 9 1 0 6 10 1 0 9 12 1 0 9 13 1 0 10 14 1 0 12 15 1 0 14 16 2 0 M END > InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16) > BJVVMKUXKQHWJK-UHFFFAOYSA-N > 1/1/N:16,15,13,14,12,10,9,7,8,11,6,4,5,1,2,3/E:(8,9)(12,13)(14,15)/rA:16nOOONNCCCCCCCCCCC/rB:;;;;;d1s4s6;d2s5s6;s6;s6;d3s4s5;s9;s9;s10;s12;d14;/rC:4.5853,-5.3178,0;2.3266,-1.3295,0;0,-5.3178,0;2.3266,-5.3178,0;1.1328,-3.3237,0;3.4593,-3.3237,0;3.4593,-4.6531,0;2.3266,-2.6589,0;4.7888,-3.3237,0;3.4593,-1.9942,0;1.1328,-4.6531,0;5.4535,-2.1231,0;5.4535,-4.4564,0;4.5853,-1.3295,0;6.783,-2.1231,0;4.5853,0,0; > C11 H16 N2 O3 > 224.2563 > O=C1C(CC=C)(C(C)CC)C(NC(N1)=O)=O > 7976 $$$$