5281081 -OEChem-10051719163D 37 37 0 0 0 0 0 0 0999 V2000 3.5447 -1.8498 0.5892 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5683 -2.8600 0.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8659 -0.4871 -0.1106 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 2.9856 -0.2512 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6739 1.9434 -0.4224 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 0.4415 0.2299 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 1.9379 -0.2175 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0221 -1.0688 -2.6033 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1918 0.4450 0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 1.7392 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 -0.7591 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0728 0.2001 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 2.4857 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7829 -0.5150 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6297 -0.7074 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.5300 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 0.6879 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 -1.7047 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7924 0.7014 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 -1.6911 0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 -0.4881 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 -0.9068 -1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3749 -0.3445 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4454 1.3971 1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 1.6024 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 2.3316 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8425 -0.7624 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9363 0.9789 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1272 0.1924 -0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 1.9277 1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4437 2.6810 1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 3.4492 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -0.4035 1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 1.6010 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -2.6458 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5027 -2.6736 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1459 -1.3637 -0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 20 1 0 0 0 0 2 36 1 0 0 0 0 3 21 1 0 0 0 0 3 37 1 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 19 1 0 0 0 0 8 22 3 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M CHG 2 4 -1 7 1 M END > DB00494 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JRURYQJSLYLRLN-BJMVGYQFSA-N/SDF?record_type=3d > CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N > InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ > JRURYQJSLYLRLN-BJMVGYQFSA-N > C14H15N3O5 > 305.286 > 305.101170605 > 6 > 37 > -0.8916277296917146 > 29.546207061943385 > 1 > 2 > 0 > 1 > (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide > 2.50 > 1.634823854666667 > -3.58 > 0 > -1 > 1 > -1 > 10.410406907794709 > 6.0865289999385075 > -1.072140355459065 > 127.69999999999999 > 79.50859999999999 > 5 > 1 > 7.97e-02 g/l > biotin > 0 $$$$