Mrv1533004231522472D 18 20 0 0 0 0 999 V2000 7.1187 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3325 1.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7229 1.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9367 1.4403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 2.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5828 0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4049 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2752 0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5283 1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 1.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 2.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0654 3.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8822 2.0935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 2.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 7 18 1 0 0 0 0 M END > NP0298773 > NP-MRD > CC(=O)ON1CC2CC(C1)C1=CC=CC(=O)N1C2 > InChI=1S/C13H16N2O3/c1-9(16)18-14-6-10-5-11(8-14)12-3-2-4-13(17)15(12)7-10/h2-4,10-11H,5-8H2,1H3 > VOAFSMSPSBURQT-UHFFFAOYSA-N > C13H16N2O3 > 248.282 > 248.116092383 > 3 > 34 > 25.083144197663138 > 1 > 0 > 0 > 0 > 6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl acetate > 1.46 > -0.5188084023333335 > -0.95 > 0 > 3 > 0 > 2.012620093991391 > 49.85 > 67.84440000000001 > 2 > 1 > 2.77e+01 g/l > 6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl acetate > 0 > NP0298773 > 6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl acetate $$$$