-ISIS- 08251613322D 39 41 0 0 0 0 0 0 0 0999 V2000 -6.5458 0.2958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8083 -2.7333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6833 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 -1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -0.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6833 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 0.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8083 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -0.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5208 1.3250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6833 -3.2458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8250 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4208 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 -3.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -1.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 5 1 0 0 0 0 9 3 2 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 19 1 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 24 2 0 0 0 0 17 1 2 0 0 0 0 18 2 2 0 0 0 0 19 6 1 0 0 0 0 20 25 2 0 0 0 0 21 5 2 0 0 0 0 22 6 2 0 0 0 0 23 10 1 0 0 0 0 24 27 1 0 0 0 0 25 30 1 0 0 0 0 26 13 2 0 0 0 0 27 26 1 0 0 0 0 28 23 1 0 0 0 0 29 35 1 0 0 0 0 30 27 2 0 0 0 0 31 16 1 0 0 0 0 32 20 1 0 0 0 0 33 28 2 0 0 0 0 34 28 1 0 0 0 0 35 34 2 0 0 0 0 36 33 1 0 0 0 0 37 29 1 0 0 0 0 38 31 1 0 0 0 0 39 38 1 0 0 0 0 12 4 2 0 0 0 0 36 29 2 0 0 0 0 20 16 1 0 0 0 0 M CHG 4 1 1 2 1 14 -1 15 -1 M END > (STK672879) STK672879 > (STK672879) 9 > (STK672879) 4.045 > (STK672879) 211.89 > (STK672879) 4 > (STK672879) 9 > (STK672879) 3 > (STK672879) N-{1-[(2E)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl}-3,5-dinitrobenzamide (non-preferred name) > (STK672879) 537.49 > (STK672879) C25H23N5O9 > (STK672879) CCOc1cc(/C=N/NC(=O)C(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])Cc2ccc(cc2)O)ccc1O $$$$