15 16 0 0000 0 0 0 0 0999 V2000 4.4694 1.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.5385 -1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.7784 -0.9897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.7295 0.3193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.1906 -0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7568 -1.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7568 0.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.7818 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.7818 0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7784 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7295 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5868 -1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 6.2311 0.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 2 13 2 0 3 5 1 0 3 13 1 0 3 14 1 0 4 12 1 0 4 13 1 0 4 15 1 0 5 6 1 0 5 7 1 0 5 12 1 0 6 8 1 0 7 9 1 0 8 10 1 0 9 11 1 0 10 11 1 0 M END > InChI=1S/C9H14N2O2/c12-7-9(11-8(13)10-7)5-3-1-2-4-6-9/h1-6H2,(H2,10,11,12,13) > DEXMKKYRTKSOCW-UHFFFAOYSA-N > 1/1/N:10,11,8,9,6,7,12,13,5,4,3,1,2/E:(1,2)(3,4)(5,6)/rA:27nOONNCCCCCCCCCHHHHHHHHHHHHHH/rB:;;;s3;s5;s5;s6;s7;s8;s9s10;d1s4s5;d2s3s4;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s3;s4;/rC:4.4694,1.5794,0;6.5385,-1.2685,0;4.7784,-.9897,0;5.7295,.3193,0;4.1906,-.1807,0;3.7568,-1.0817,0;3.7568,.7203,0;2.7818,-1.3042,0;2.7818,.9428,0;2,-.6807,0;2,.3193,0;4.7784,.6283,0;5.7295,-.6807,0;3.7568,-1.7017,0;4.3612,-1.2196,0;4.3612,.8582,0;3.7568,1.3403,0;2.2971,-1.6908,0;3.0508,-1.8628,0;3.0508,1.5014,0;2.2971,1.3294,0;1.3955,-.5427,0;1.731,-1.2393,0;1.731,.8779,0;1.3955,.1813,0;4.5868,-1.5794,0;6.2311,.6837,0; > C9 H14 N2 O2 > 182.2197 > O=C1C2(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])N([H])C(N1[H])=O > 199616 $$$$