12 13 0 0000 0 0 0 0 0999 V2000 0.0000 -0.6632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1537 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3006 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3006 -1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4543 -2.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.6081 -1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7549 -2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9086 -1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9086 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7549 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6081 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4543 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 12 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 11 2 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 M END > InChI=1S/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2 > JHNURUNMNRSGRO-UHFFFAOYSA-N > 1/0/N:8,9,7,10,2,4,3,6,11,1,5,12/rA:12nNCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s3s11;/rC:0,-.6632,0;1.1537,0,0;2.3006,-.6632,0;2.3006,-1.9966,0;3.4543,-2.6598,0;4.6081,-1.9966,0;5.7549,-2.6598,0;6.9086,-1.9966,0;6.9086,-.6632,0;5.7549,0,0;4.6081,-.6632,0;3.4543,0,0; > C9 H11 N O2 > 165.1891 > NCC1OC2C=CC=CC=2OC1 > 14325 $$$$