20 20 0 0000 0 0 0 0 0999 V2000 2.4397 1.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 2.5888 -0.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.1717 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.4397 -3.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.5737 -1.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.3057 -1.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.4397 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.9397 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4397 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9397 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5737 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3057 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.9397 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.9397 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.9397 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4397 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4397 3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.0367 -2.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.8426 -2.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 2 11 2 0 3 12 2 0 4 16 2 0 5 11 1 0 5 16 1 0 5 19 1 0 6 12 1 0 6 16 1 0 6 20 1 0 7 8 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 9 1 0 8 13 1 0 9 14 1 0 10 15 1 0 14 17 1 0 15 18 2 0 M END > 8 13 3 > InChI=1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18) > ZGVCLZRQOUEZHG-UHFFFAOYSA-N > 1/1/N:17,13,18,14,9,10,8,15,11,12,16,7,1,5,6,2,3,4/E:(9,10)(14,15)(16,17)/rA:35cBrOOONNCCCCCCCCCCCCHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s8;s7;d2s5s7;d3s6s7;s8;s9;s1s10;d4s5s6;s14;d15;s8;s9;s9;s10;s10;s13;s13;s13;s14;s14;s5;s6;s17;s17;s17;s18;s18;/rC:2.4397,1.5,0;2.5888,-.9057,0;6.1717,-.2321,0;4.4397,-3.2321,0;3.5737,-1.7321,0;5.3057,-1.7321,0;4.4397,-.2321,0;4.9397,.634,0;4.4397,1.5,0;3.9397,.634,0;3.5737,-.7321,0;5.3057,-.7321,0;5.9397,.634,0;4.9397,2.366,0;2.9397,.634,0;4.4397,-2.2321,0;4.4397,3.2321,0;2,.2919,0;5.2497,1.1709,0;3.9647,1.8985,0;3.9647,1.1015,0;4.5223,.846,0;3.832,1.2446,0;5.9397,1.254,0;6.5597,.634,0;5.9397,.014,0;5.4146,2.7646,0;5.4146,1.9675,0;3.0367,-2.0421,0;5.8426,-2.0421,0;4.9766,3.5421,0;4.1297,3.769,0;3.9027,2.9221,0;1.525,.6904,0;1.8924,-.3187,0; > C12 H17 Br N2 O3 > 317.179 > BrC(=C([H])[H])C([H])([H])C1(C(N([H])C(N([H])C1=O)=O)=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H] > 13964 $$$$