3151563 -OEChem-03192402362D 47 50 0 0 0 0 0 0 0999 V2000 5.3929 -0.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2422 1.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 -0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 -2.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4699 -1.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 3.6321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 3.2253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6415 0.3467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5209 2.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 1.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7019 0.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0209 2.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4505 1.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6196 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7019 0.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 -1.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0109 -0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2118 3.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1415 2.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 -2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3359 -2.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0679 -2.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3359 -3.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0679 -3.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 -4.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4699 -2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 1.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 0.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 4.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1405 3.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1807 -0.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6006 -0.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 3.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 3.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 2.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7311 2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 3.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 2.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 -2.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -4.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 -4.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 -4.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 -3.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 29 1 0 0 0 0 4 47 1 0 0 0 0 5 29 2 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 0 0 0 0 8 16 1 0 0 0 0 8 34 1 0 0 0 0 9 17 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > 3151563 > 1 > 765 > 7 > 5 > 5 > AAADceB7uAAAAAAAAAAAAAAAAAAAASIEAAAwAAAAAAAAAAABwAAAHgAYCAAADQyBmAAyDIBiBkCIAqXSWACCCAAkIAIaqAEGCMgMJjKEtRqCeSCk0BEIucf/y/COgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furyl]benzoic acid > 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid > 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]benzoic acid > 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]benzoic acid > 2-[5-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]benzoic acid > 2-[5-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-furyl]benzoic acid > InChI=1S/C20H18N4O5/c1-9-15(18(25)23-21-9)17(16-10(2)22-24-19(16)26)14-8-7-13(29-14)11-5-3-4-6-12(11)20(27)28/h3-8,17H,1-2H3,(H,27,28)(H2,21,23,25)(H2,22,24,26) > CAWIUJLJCIJYAF-UHFFFAOYSA-N > 2 > 394.12771969 > C20H18N4O5 > 394.4 > CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC=CC=C3C(=O)O)C4=C(NNC4=O)C > CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC=CC=C3C(=O)O)C4=C(NNC4=O)C > 133 > 394.12771969 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 13 8 1 19 8 11 14 8 11 16 8 12 15 8 12 17 8 13 18 8 18 20 8 19 20 8 23 24 8 23 25 8 24 26 8 25 27 8 26 28 8 27 28 8 6 14 8 6 8 8 7 15 8 7 9 8 8 16 8 9 17 8 $$$$