5 4 0 0000 0 0 0 0 0999 V2000 0.7544 0.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.0534 -1.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -1.8435 -1.0499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0.7544 -1.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.5445 -1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 2 4 1 0 3 5 1 0 4 5 1 0 M END > InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,2+1 > DHMQDGOQFOQNFH-ZDOIIHCHSA-N > 1/1/N:5,4,3,1,2/E:(4,5)/I:/E:m/rA:5nOONC.i13C.i13/rB:;;d1s2;s3s4;/rC:.7544,.4499,0;2.0534,-1.7999,0;-1.8435,-1.0499,0;.7544,-1.0499,0;-.5445,-1.7999,0; > C2 H5 N O2 > 77.05191 > O=[13C]([13CH2]N)O > 21171058 $$$$