7416 -OEChem-01061015272D 14 14 0 0 0 0 0 0 0999 V2000 3.7321 1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > 1 > 7416 > 1 > 102 > 2 > 0 > 0 > AAADcYBiMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAEAAAACAiBEAAwwIAQQACBACRCQwCCAAAgAgAoiAAAZIoIICKAkZGAIABggAAIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > nitrobenzene > nitrobenzene > nitrobenzene > nitrobenzene > nitrobenzene > InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H > LQNUZADURLCDLV-UHFFFAOYSA-N > 1.9 > 123.032028 > C6H5NO2 > 123.1094 > C1=CC=C(C=C1)[N+](=O)[O-] > C1=CC=C(C=C1)[N+](=O)[O-] > 43.1 > 123.032028 > 0 > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 61013414 > 1 > ZINC > ZINC00896426 > Acros Organics 12842 Acros Organics 16636 Acros Organics 41578 Alfa-Aesar 42337 Alfa-Aesar A10585 Labotest LTBB002583 Ryan Scientific LTBB002583 UkrOrgSynthesis BBR-007788 > 98-95-3 ZINC00896426 > 98-95-3 > ZINC00896426 > http://zinc.docking.org/ > http://zinc.docking.org/srchdb.pl?zinc=896426 > 7416 1 > 1 5 255 > 4 5 8 4 6 8 5 7 8 6 8 8 7 9 8 8 9 8 $$$$