24 26 0 0000 0 0 0 0 0999 V2000 2.2985 -1.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5675 -2.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.3456 -1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5675 -0.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.2985 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1493 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1493 -2.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1493 -3.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2985 -4.6569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.2985 -5.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4598 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4598 -7.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2985 -8.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1493 -7.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2985 -9.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4598 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4598 -11.9715 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 4.6090 -9.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6090 -8.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7583 -10.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.9075 -9.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 5 1 0 1 9 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 22 2 0 15 16 1 0 15 18 2 0 16 17 1 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 M END > InChI=1S/C18H20INO4/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15/h3-5,8-9,20H,6-7,10-11H2,1-2H3 > NJNMIPDEUMTYNV-UHFFFAOYSA-N > 1/0/N:17,24,7,8,6,13,12,22,18,10,3,14,9,19,5,15,21,1,20,11,16,23,4,2/rA:24nCOCOCCCCCCNCCCCOCCCICCOC/rB:s1;s2;s3;s1s4;d5;s6;d7;d1s8;s9;s10;s11;s12;s13;s14;s15;s16;d15;s18;s19;d19;d14s21;s21;s23;/rC:2.2985,-1.9992,0;3.5675,-2.4063,0;4.3456,-1.3288,0;3.5675,-.2514,0;2.2985,-.6704,0;1.1493,0,0;0,-.6704,0;0,-1.9992,0;1.1493,-2.6577,0;1.1493,-3.9865,0;2.2985,-4.6569,0;2.2985,-5.9857,0;3.4598,-6.6561,0;3.4598,-7.985,0;2.2985,-8.6434,0;1.1493,-7.985,0;0,-8.6434,0;2.2985,-9.9722,0;3.4598,-10.6426,0;3.4598,-11.9715,0;4.609,-9.9722,0;4.609,-8.6434,0;5.7583,-10.6426,0;6.9075,-9.9722,0; > C18 H20 I N O4 > 441.2602 > C12=C(CNCCC3=CC(OC)=C(I)C=C3OC)C=CC=C1OCO2 > 26234932 $$$$