10184054 -OEChem-04232418262D 63 65 0 0 0 0 0 0 0999 V2000 10.6603 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6900 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 6.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.1900 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.5263 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -3.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -4.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -3.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -2.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -2.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -5.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -5.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 27 2 0 0 0 0 3 35 1 0 0 0 0 3 63 1 0 0 0 0 4 35 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 27 1 0 0 0 0 7 29 1 0 0 0 0 7 59 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 27 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 25 1 0 0 0 0 19 50 1 0 0 0 0 20 26 2 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 22 24 2 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 34 2 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 34 62 1 0 0 0 0 M CHG 2 5 -1 8 1 M END > 10184054 > 1 > 667 > 6 > 2 > 12 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgAUCAAADAyhmAIwzoLQRgCJAiXSWwCCCAAlIgAoiAEGbMoMJjrEtZuGeajm1BHI+ce8yOCOIACAQAACAABAAQCAAAQAAAAAAAAAAA== > 2-nitro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid > 2-nitro-5-[[1-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]amino]benzoic acid > 2-nitro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid > 2-nitro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid > 2-nitro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid > 2-nitro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid > InChI=1S/C27H28N2O6/c30-26(28-22-13-16-25(29(33)34)24(19-22)27(31)32)17-12-21-10-14-23(15-11-21)35-18-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-11,13-16,19H,2,5-6,9,12,17-18H2,(H,28,30)(H,31,32) > HISBGBQWAUBNAT-UHFFFAOYSA-N > 5.5 > 476.19473662 > C27H28N2O6 > 476.5 > C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O > C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O > 121 > 476.19473662 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 19 8 14 20 8 16 21 8 16 22 8 17 23 8 17 24 8 19 25 8 20 26 8 21 23 8 22 24 8 25 28 8 26 28 8 29 30 8 29 31 8 30 32 8 31 34 8 32 33 8 33 34 8 $$$$