methyl 5-nitro-1,4-benzodioxane-2-carboxylate.mol corina 06062313103D 1 1.00000 0.00000 CORINA 4.4.0 0026 12.08.2021 17 18 0 0 0 0 0 0 0 0999 V2000 -3.1703 6.4660 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2699 5.9977 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3144 4.6824 -1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2553 3.8294 -0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 4.3010 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 5.6211 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3161 2.5354 -1.2563 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0808 1.8122 -1.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3313 2.0738 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0961 3.4817 0.1301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 1.3381 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0219 1.9564 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 -0.6456 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4936 4.1844 -1.8526 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4242 4.9332 -2.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5332 3.0258 -2.2261 O 0 5 0 0 0 0 0 0 0 0 0 0 15 16 2 0 15 17 1 0 3 15 1 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 9 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 M CHG 2 15 1 17 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 15 16 17 M SBL 1 1 3 M SMT 1 NO2 M SBV 1 3 0.0000 0.8250 M END $$$$