70649956 -OEChem-03282416422D 55 56 0 0 0 0 0 0 0999 V2000 8.9282 3.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 5.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 2.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 2.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 3.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 20 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 30 2 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 8 18 1 0 0 0 0 9 30 1 0 0 0 0 9 54 1 0 0 0 0 9 55 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 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 22 1 0 0 0 0 19 24 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 23 27 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 2 4 -1 8 1 M END > 70649956 > 1 > 594 > 6 > 2 > 9 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAUAAAADQyhmAIyxoLQRACJAiVSUwCCCAAlIgAoiAEHbMoOJjLEtZuHOSjk1FHY6Ye6yRCeCAABAAAAEAAQAAIAAAAgAAAAAAAAAA== > 4-[(3-isobutoxy-4-nitro-benzoyl)amino]-3-propoxy-benzamide > 4-[[[3-(2-methylpropoxy)-4-nitrophenyl]-oxomethyl]amino]-3-propoxybenzamide > 4-[[3-(2-methylpropoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide > 4-[[3-(2-methylpropoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide > 4-[[3-(2-methylpropoxy)-4-nitro-phenyl]carbonylamino]-3-propoxy-benzamide > 4-[(3-isobutoxy-4-nitro-benzoyl)amino]-3-propoxy-benzamide > InChI=1S/C21H25N3O6/c1-4-9-29-18-10-14(20(22)25)5-7-16(18)23-21(26)15-6-8-17(24(27)28)19(11-15)30-12-13(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H2,22,25)(H,23,26) > OGNQLGMTTDTKOL-UHFFFAOYSA-N > 3.6 > 415.17433553 > C21H25N3O6 > 415.4 > CCCOC1=C(C=CC(=C1)C(=O)N)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OCC(C)C > CCCOC1=C(C=CC(=C1)C(=O)N)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OCC(C)C > 137 > 415.17433553 > 0 > 30 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 18 8 15 16 8 15 21 8 17 19 8 17 25 8 18 22 8 19 24 8 21 22 8 24 26 8 25 28 8 26 28 8 $$$$