1019 3D 27 29 0 0 0 0 0 0 0 0999 V2000 3.9471 -5.3090 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3474 -4.1350 0.0369 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 -5.2646 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5921 -3.9256 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 -6.6172 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3849 -3.2435 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0855 -1.1796 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8178 -1.9184 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 -3.3199 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5658 -7.5535 0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 -6.9066 -1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8681 -8.7645 0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 -8.1139 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 -9.0495 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4411 -0.4931 1.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3866 -1.8431 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 -1.1867 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7871 -1.3908 -1.0732 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -9.9012 2.2589 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5548 -8.4198 -2.2506 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7582 -3.8962 0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2684 -7.3317 1.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -6.1722 -1.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4571 -1.2840 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2413 -1.4561 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 -0.0999 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -9.9804 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 19 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 16 17 2 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 16 24 1 0 0 0 0 18 25 1 0 0 0 0 17 26 1 0 0 0 0 14 27 1 0 0 0 0 M END > 51.958863973644242 > InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19) > TXEIIPDJKFWEEC-UHFFFAOYSA-N > 1/1/N:17,16,10,11,9,14,8,5,12,13,6,4,1,7,19,20,2,15,18,3/E:(3,4)(9,10)(15,16)(18,19)/rA:27nCNOCCCCCCCCCCCOCCOClClHHHHHHH/rB:d1;s1;s3;s1;s2d4;;s7;s4d8;d5;s5;s10;d11;d12s13;d7;s6;s8d16;s7;s12;s13;s9;s10;s11;s16;s18;s17;s14;/rC:3.9471,-5.309,.0191;3.3474,-4.135,.0369;5.3149,-5.2646,-.013;5.5921,-3.9256,.0018;3.3348,-6.6172,-.014;4.3849,-3.2435,.0097;8.0855,-1.1796,.0616;6.8178,-1.9184,.0163;6.8422,-3.3199,.0148;3.5658,-7.5535,.9991;2.4196,-6.9066,-1.0331;2.8681,-8.7645,.9917;1.7221,-8.1139,-1.022;1.9374,-9.0495,-.0104;8.4411,-.4931,1.0042;4.3866,-1.8431,-.0042;5.623,-1.1867,-.0043;8.7871,-1.3908,-1.0732;3.135,-9.9012,2.2589;.5548,-8.4198,-2.2506;7.7582,-3.8962,.0223;4.2684,-7.3317,1.8005;2.227,-6.1722,-1.8137;3.4571,-1.284,-.0061;8.2413,-1.4561,-1.8864;5.6361,-.0999,-.0077;1.3749,-9.9804,.0058; > C14 H7 Cl2 N O3 > 308.1163 > C1(C2C([H])=C(Cl)C([H])=C(Cl)C=2[H])OC2=C(C([H])=C([H])C(=C2[H])C(O[H])=O)N=1 > 9176510 $$$$