44564 -OEChem-03282417352D 27 27 0 0 0 0 0 0 0999 V2000 3.7320 0.5950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 17 2 0 0 0 0 3 18 2 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 21 1 0 0 0 0 5 27 1 0 0 0 0 6 20 2 0 0 0 0 7 21 2 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 25 1 0 0 0 0 10 19 3 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > 44564 > 1 > 489 > 7 > 4 > 4 > AAADcYBzOAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIQCAAADAqBmCAwyILAAgCYBiXSWAKiAAAhBgAAiADAZogKoCLB0/HEIAhglADYyA8QgAAOBAAAQAQAABAIAACACAAAIAAAAAAAAA== > 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxo-acetic acid > 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid > 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid > 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid > 2-[[3-(carboxycarbonylamino)-2-chloranyl-5-cyano-phenyl]amino]-2-oxidanylidene-ethanoic acid > 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-keto-acetic acid > InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21) > RVGLGHVJXCETIO-UHFFFAOYSA-N > 0.5 > 310.9945126 > C11H6ClN3O6 > 311.63 > C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N > C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N > 157 > 310.9945126 > 0 > 21 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 8 11 14 8 12 13 8 12 15 8 14 16 8 15 16 8 $$$$