null CDK 0225161859 null 24 26 0 0 0 0 0 0 0 0999 V2000 -0.7070 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0525 0.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2633 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2633 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 2.1666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 2.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7399 2.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1679 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7513 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5482 1.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3814 0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -1.6392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -2.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7399 -2.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 8 10 1 0 0 0 0 10 2 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 4 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 2 24 1 0 0 0 0 M CHG 1 2 1 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 21 1 M CHG 1 23 -1 M END > CHEBI:114298 > 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene > 2 > C16H20N3O5 > 334.348 > 334.13975 > 1 > C[N+]1(CC2(CC=C(C(C2)(C1)[N+](=O)[O-])OC3=CC=CC=C3)[N+](=O)[O-])C > InChI=1S/C16H20N3O5/c1-19(2)11-15(17(20)21)9-8-14(16(10-15,12-19)18(22)23)24-13-6-4-3-5-7-13/h3-8H,9-12H2,1-2H3/q+1 > QYMKNXONXJPRSW-UHFFFAOYSA-N > LSM-25758 $$$$