Mrv1652306242105383D 43 47 0 0 0 0 999 V2000 -3.2675 -3.7277 1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 -2.4471 1.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 -1.3822 1.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7931 -1.5717 0.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -0.0681 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9113 0.2197 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4075 1.4682 0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5288 2.4447 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 2.2212 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 2.9417 -0.3657 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 2.2126 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 2.7112 -0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 4.0229 -1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7514 4.4071 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 3.5748 -1.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6196 2.2562 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3933 1.2311 -0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7383 0.1725 -0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -1.1245 -0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6987 -1.3147 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 -2.5436 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5383 -3.6156 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 -3.4385 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6127 -2.2113 0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2434 -2.0821 0.5297 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 0.5422 -0.2516 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3428 1.8351 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 0.9860 0.0748 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7227 0.9328 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2218 -3.6818 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 -4.2697 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 -4.3166 0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5414 -0.5901 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4638 1.6622 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 3.4292 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 4.6547 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 5.4500 -1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8295 3.8977 -1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3501 -0.4986 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3529 -2.7144 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -4.5869 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5791 -4.2612 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 -2.8274 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 18 26 2 0 0 0 0 26 27 1 0 0 0 0 11 28 2 0 0 0 0 28 29 1 0 0 0 0 29 5 1 0 0 0 0 29 9 2 0 0 0 0 27 12 1 0 0 0 0 27 16 2 0 0 0 0 24 19 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > NP0022895 > NP-MRD > [H]OC1=C([H])C([H])=C([H])C([H])=C1C1=NC2=C(O1)C([H])=C([H])C([H])=C2C1=NC2=C(O1)C([H])=C([H])C([H])=C2C(=O)OC([H])([H])[H] > InChI=1S/C22H14N2O5/c1-27-22(26)14-8-5-11-17-19(14)24-21(29-17)13-7-4-10-16-18(13)23-20(28-16)12-6-2-3-9-15(12)25/h2-11,25H,1H3 > NGKIDJMAXLRJRL-UHFFFAOYSA-N > C22H14N2O5 > 386.363 > 386.090271559 > 4 > 43 > 40.546050382268305 > 1 > 1 > 0 > 1 > methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate > 3.94 > 4.415937138333333 > -4.04 > 0 > 5 > 0 > 8.480381745687364 > -0.995112373947851 > 98.59 > 123.59760000000001 > 4 > 1 > 3.51e-02 g/l > methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate > 0 > NP0022895 > UK-1 $$$$