9 9 0 0000 0 0 0 0 0999 V2000 4.6073 -1.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4555 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3037 -1.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1518 -1.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1518 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1518 -3.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3037 -3.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 3 9 1 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 M END > InChI=1S/C6H5NO2/c8-4-5-1-2-7-3-6(5)9/h1-4,9H > NVLPDIRQWJSXLZ-UHFFFAOYSA-N > 1/0/N:9,8,6,2,3,4,7,1,5/rA:9nOCCCOCNCC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;/rC:4.6073,-1.995,0;3.4555,-1.3315,0;2.3037,-1.995,0;1.1518,-1.3269,0;1.1518,0,0;0,-1.995,0;0,-3.3265,0;1.1518,-3.9899,0;2.3037,-3.3265,0; > C6 H5 N O2 > 123.1094 > O=CC1C=CN=CC=1O > 167264 $$$$