8 8 0 0000 0 0 0 0 0999 V2000 0.0000 -1.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.1520 -2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3040 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4560 -2.6588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.6080 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6080 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3040 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 8 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 M END > InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2 > SHNUBALDGXWUJI-UHFFFAOYSA-N > 1/0/N:7,6,8,5,2,3,4,1/rA:8nOCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;/rC:0,-1.9953,0;1.152,-2.6588,0;2.304,-1.9953,0;3.456,-2.6588,0;4.608,-1.9953,0;4.608,-.6635,0;3.456,0,0;2.304,-.6635,0; > C6 H7 N O > 109.1259 > OCC1C=CC=CN=1 > 10990 $$$$