9 9 0 0000 0 0 0 0 0999 V2000 1.1518 -3.9899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3265 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 -1.3315 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 0.0000 -1.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6073 -1.9950 0.0000 O 0 5 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 3.4555 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 5 2 0 2 6 2 0 3 8 1 0 3 4 2 0 3 5 1 0 4 6 1 0 7 8 1 0 8 9 2 0 M CHG 1 7 -1 M END > InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1 > PVNIIMVLHYAWGP-UHFFFAOYSA-M > 1/1/N:6,4,2,5,3,8,1,7,9/E:(8,9)/rA:9nNCCCCCO-CO/rB:s1;;d3;d1s3;d2s4;;s3s7;d8;/rC:1.1518,-3.9899,0;0,-3.3265,0;2.3037,-1.995,0;1.1518,-1.3315,0;2.3037,-3.3265,0;0,-1.995,0;4.6073,-1.995,0;3.4555,-1.3315,0;3.4555,0,0; > C6 H4 N O2 > 122.1015 > N1=CC(=CC=C1)C(=O)[O-] > 912 $$$$