71816424 -OEChem-03282408422D 31 32 0 0 0 0 0 0 0999 V2000 3.7320 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 25 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 13 14 1 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 27 1 0 0 0 0 18 21 1 0 0 0 0 18 28 1 0 0 0 0 19 22 2 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 M CHG 2 5 -1 9 1 M END > 71816424 > 1 > 537 > 6 > 2 > 3 > AAADccBzOAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAUAAAADQyBmAAxwILQQACJAqVSUwCCAAAgAgAoiAEAZMqIIDqI0ZGEIABolSIIyYcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA== > 5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]hexahydropyrimidine-2,4,6-trione > 5-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-1,3-diazinane-2,4,6-trione > 5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-diazinane-2,4,6-trione > 5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-diazinane-2,4,6-trione > 5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-diazinane-2,4,6-trione > 5-[(E)-3-(4-nitrophenyl)acryloyl]barbituric acid > InChI=1S/C13H9N3O6/c17-9(10-11(18)14-13(20)15-12(10)19)6-3-7-1-4-8(5-2-7)16(21)22/h1-6,10H,(H2,14,15,18,19,20)/b6-3+ > ATQXWWMLHYOOKI-ZZXKWVIFSA-N > 0.7 > 303.04913502 > C13H9N3O6 > 303.23 > C1=CC(=CC=C1C=CC(=O)C2C(=O)NC(=O)NC2=O)[N+](=O)[O-] > C1=CC(=CC=C1/C=C/C(=O)C2C(=O)NC(=O)NC2=O)[N+](=O)[O-] > 138 > 303.04913502 > 0 > 22 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 16 18 8 16 19 8 18 21 8 19 22 8 20 21 8 20 22 8 $$$$