17 18 0 0000 0 0 0 0 0999 V2000 8.1496 -5.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8457 -5.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5336 -5.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8049 -6.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.4382 -3.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.1343 -3.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2460 -4.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.7268 -2.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.4554 -1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4554 -0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3063 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1491 -0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1491 -1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.3063 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7268 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5010 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 17 1 0 9 10 2 0 9 15 1 0 10 11 1 0 10 16 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 16 17 2 0 M END > InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,14H2,1-3H3 > KYZMFSVVFOVRNK-UHFFFAOYSA-N > 1/0/N:1,3,4,11,12,16,17,15,10,13,9,6,2,14,8,7,5/E:(1,2,3)/rA:17nCCCCOCONCCCCCNCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;s12;s13;s9d13;s10;s8d16;/rC:8.1496,-5.4847,0;6.8457,-5.2076,0;5.5336,-5.3951,0;6.8049,-6.536,0;6.4382,-3.9444,0;5.1343,-3.6673,0;4.246,-4.6616,0;4.7268,-2.4041,0;3.4554,-1.9967,0;3.4554,-.6683,0;2.3063,0,0;1.1491,-.6683,0;1.1491,-1.9967,0;0,-2.6649,0;2.3063,-2.6649,0;4.7268,-.2608,0;5.501,-1.3284,0; > C13 H16 N2 O2 > 232.2784 > CC(OC(N1C=CC2C=CC(=CC1=2)N)=O)(C)C > 11256276 $$$$