23 23 0 0000 0 0 0 0 0999 V2000 4.6201 -2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4582 -4.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6201 -3.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7636 -1.3556 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 3.4582 -5.3487 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 1.1435 -1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2962 -2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4582 -1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2962 -3.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7821 -4.0392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.6109 -5.9850 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 6.8979 -2.0288 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 2.3147 -5.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.7729 -0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.1435 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0.0277 -2.0380 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7009 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 6.9440 -3.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7821 -5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9256 -6.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0599 -5.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.1060 -4.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.2218 -5.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 1 4 1 0 1 8 1 0 2 3 1 0 2 5 1 0 2 9 2 0 3 10 1 0 4 12 1 0 4 14 2 0 5 11 1 0 5 13 2 0 6 7 1 0 6 15 1 0 6 16 1 0 6 17 1 0 7 8 2 0 7 9 1 0 10 18 1 0 10 19 1 0 18 22 1 0 19 20 1 0 20 21 1 0 21 23 1 0 M CHG 4 4 1 5 1 11 -1 12 -1 M END > InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3 > SMDHCQAYESWHAE-UHFFFAOYSA-N > 1/0/N:23,22,21,18,20,19,8,9,7,1,2,3,6,15,16,17,10,4,5,12,14,11,13/E:(7,8)(10,11)(14,15,16)(18,19)(20,21,22,23)/CRV:18.5,19.5/rA:23nCCCN+N+CCCCNO-O-OOFFFCCCCCC/rB:;d1s2;s1;s2;;s6;s1d7;d2s7;s3;s5;s4;d5;d4;s6;s6;s6;s10;s10;s19;s20;s18;s21;/rC:4.6201,-2.0104,0;3.4582,-4.0392,0;4.6201,-3.3567,0;5.7636,-1.3556,0;3.4582,-5.3487,0;1.1435,-1.3556,0;2.2962,-2.0104,0;3.4582,-1.3372,0;2.2962,-3.3567,0;5.7821,-4.0392,0;4.6109,-5.985,0;6.8979,-2.0288,0;2.3147,-5.9665,0;5.7729,-.0369,0;1.1435,0,0;.0277,-2.038,0;0,-.7009,0;6.944,-3.3567,0;5.7821,-5.3671,0;6.9256,-6.0034,0;8.0599,-5.3118,0;8.106,-4.0392,0;9.2218,-5.9389,0; > C13 H16 F3 N3 O4 > 335.2791 > C1(C=C(C=C([N+](=O)[O-])C=1N(CCCC)CC)C(F)(F)F)[N+](=O)[O-] > 2229 $$$$