2571709 -OEChem-03292403212D 30 32 0 0 0 0 0 0 0999 V2000 2.8660 3.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -2.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 -2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 5 10 1 0 0 0 0 6 14 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 M CHG 2 3 -1 5 1 M END > 2571709 > 1 > 376 > 4 > 0 > 2 > AAADccBzMAAAEAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgBEAAABrAzBmgQ8xtIYVAChAjRnRwCCiCAxIiQo2CA+bLoMJmLE8duGPCjkwBHI6hewwLAOgEABQIAaAAAAgAKBADQAAAAAAAAAAA== > 5-(3-bromophenoxy)-8-nitro-isoquinoline > 5-(3-bromophenoxy)-8-nitroisoquinoline > 5-(3-bromophenoxy)-8-nitroisoquinoline > 5-(3-bromophenoxy)-8-nitroisoquinoline > 5-(3-bromanylphenoxy)-8-nitro-isoquinoline > 5-(3-bromophenoxy)-8-nitro-isoquinoline > InChI=1S/C15H9BrN2O3/c16-10-2-1-3-11(8-10)21-15-5-4-14(18(19)20)13-9-17-7-6-12(13)15/h1-9H > IYSTVVCDSOPPIT-UHFFFAOYSA-N > 4.2 > 343.97965 > C15H9BrN2O3 > 345.15 > C1=CC(=CC(=C1)Br)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-] > C1=CC(=CC(=C1)Br)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-] > 67.9 > 343.97965 > 0 > 21 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 11 12 8 13 16 8 15 17 8 15 18 8 17 19 8 18 20 8 19 21 8 20 21 8 6 14 8 6 16 8 7 13 8 7 8 8 7 9 8 8 10 8 8 14 8 9 11 8 $$$$