11 11 0 0000 0 0 0 0 0999 V2000 3.3222 -5.7577 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 3.9901 -4.6062 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 5.3201 -4.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.3222 -3.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9901 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3222 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9922 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3300 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9922 -3.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.3300 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 9 2 0 5 6 2 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 8 10 1 0 M CHG 2 1 -1 2 1 M END > InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3 > DSBIJCMXAIKKKI-UHFFFAOYSA-N > 1/0/N:11,6,5,9,7,4,8,10,2,1,3/E:(10,11)/CRV:9.5/rA:11nO-N+OCCCCCCNC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s7;/rC:3.3222,-5.7577,0;3.9901,-4.6062,0;5.3201,-4.6062,0;3.3222,-3.4546,0;3.9901,-2.3031,0;3.3222,-1.1515,0;1.9922,-1.1515,0;1.33,-2.3031,0;1.9922,-3.4546,0;0,-2.3031,0;1.33,0,0; > C7 H8 N2 O2 > 152.1506 > [O-][N+](C1=CC(N)=C(C)C=C1)=O > 7166 $$$$