Mrv1533005141521402D 15 15 0 0 0 0 999 V2000 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 2 12 2 0 0 0 0 M CHG 4 4 1 6 -1 13 1 14 -1 M END > NP0339849 > NP-MRD > CC1=C(C=C(C=C1[N+]([O-])=O)N=O)[N+]([O-])=O > InChI=1S/C7H5N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3H,1H3 > CNEZUBNNRCSZMT-UHFFFAOYSA-N > C7H5N3O5 > 211.133 > 211.022920273 > 5 > 20 > 17.132947494325734 > 1 > 0 > 0 > 1 > 2-methyl-1,3-dinitro-5-nitrosobenzene > 1.59 > 2.444343647666667 > -3.41 > 0 > 1 > 0 > 17.394392362635738 > -0.6748008957493848 > 115.71000000000001 > 49.313600000000015 > 3 > 1 > 8.19e-02 g/l > 2-methyl-1,3-dinitro-5-nitrosobenzene > 0 > NP0339849 > 4-nitroso-2,6-dinitrotoluene $$$$