741762 -OEChem-03192406492D 45 47 0 0 0 0 0 0 0999 V2000 7.2579 3.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 -0.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -1.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1135 -1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4232 -1.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5559 -2.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5559 -3.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 2.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 -0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 -0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3409 -3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5678 -2.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -3.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8409 -4.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0678 -3.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 26 1 0 0 0 0 3 45 1 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 2 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 23 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 24 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > 741762 > 1 > 599 > 5 > 1 > 5 > AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHgAACAAADAzBmAQyyIMAAgCIAqTSSACCAAAlAgAIiAEIbMgIJjLIlZGEcQhkwAHI2YeZzvCuyAACAAAQAACQAAQAACAAAAAACAAAAA== > (2E)-2-[[4-(diethylamino)phenyl]methylene]-1,3-dioxo-indane-5-carboxylic acid > (2E)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-dioxo-5-indenecarboxylic acid > (2E)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-dioxoindene-5-carboxylic acid > (2E)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-dioxoindene-5-carboxylic acid > (2E)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-bis(oxidanylidene)indene-5-carboxylic acid > (2E)-2-[4-(diethylamino)benzylidene]-1,3-diketo-indane-5-carboxylic acid > InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11+ > UIKDDODRJJDDNG-WOJGMQOQSA-N > 3.9 > 349.13140809 > C21H19NO4 > 349.4 > CCN(CC)C1=CC=C(C=C1)C=C2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O > CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O > 74.7 > 349.13140809 > 0 > 26 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 12 18 8 12 19 8 16 18 8 17 19 8 20 22 8 21 25 8 22 25 8 6 16 8 6 17 8 8 20 8 8 9 8 9 21 8 $$$$