17 17 0 0000 0 0 0 0 0999 V2000 5.0144 -9.2967 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 2.2465 -4.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.7824 -7.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.6304 -2.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.3984 -0.5014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.0144 -4.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6304 -5.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3984 -5.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3984 -6.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.0144 -2.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6304 -6.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.0144 -7.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3984 -2.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.8625 -5.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1664 -6.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5359 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 7.2609 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 2 7 1 0 2 14 1 0 3 9 1 0 3 15 1 0 4 10 2 0 5 13 1 0 5 16 1 0 5 17 1 0 6 7 1 0 6 8 2 0 6 10 1 0 7 11 2 0 8 9 1 0 9 12 2 0 10 13 1 0 11 12 1 0 M END > InChI=1S/C10H12BrNO3/c1-14-9-4-7(11)10(15-2)3-6(9)8(13)5-12/h3-4H,5,12H2,1-2H3 > HFYJGAIOBIDRPX-UHFFFAOYSA-N > 1/0/N:14,15,8,11,13,6,12,10,7,9,1,5,4,2,3/rA:27nBrOOONCCCCCCCCCCHHHHHHHHHHHH/rB:;;;;;s2s6;d6;s3s8;d4s6;d7;s1d9s11;s5s10;s2;s3;s8;s11;s13;s13;s5;s5;s14;s14;s14;s15;s15;s15;/rC:5.0144,-9.2967,0;2.2465,-4.503,0;7.7824,-7.7022,0;3.6304,-2.096,0;6.3984,-.5014,0;5.0144,-4.503,0;3.6304,-5.2952,0;6.3984,-5.2952,0;6.3984,-6.8998,0;5.0144,-2.8983,0;3.6304,-6.8998,0;5.0144,-7.7022,0;6.3984,-2.096,0;.8625,-5.2952,0;9.1664,-6.8998,0;7.2609,-4.8038,0;2.768,-7.3913,0;6.7394,-3.0287,0;7.3812,-1.9255,0;5.5359,0,0;7.2609,0,0;.361,-4.4428,0;0,-5.7967,0;1.3539,-6.1577,0;8.675,-6.0374,0;10.0289,-6.3984,0;9.6678,-7.7523,0; > C10 H12 Br N O3 > 274.1112 > BrC1C([H])=C(C(C(C([H])([H])N([H])[H])=O)=C([H])C=1OC([H])([H])[H])OC([H])([H])[H] > 9463799 $$$$