56642883 -OEChem-03292409252D 42 44 0 0 0 0 0 0 0999 V2000 11.2774 -2.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 -3.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8610 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3219 -3.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3219 -2.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 24 1 0 0 0 0 3 41 1 0 0 0 0 4 23 2 0 0 0 0 5 27 1 0 0 0 0 5 42 1 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 40 1 0 0 0 0 9 17 1 0 0 0 0 10 25 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 23 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 26 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 24 27 2 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 M CHG 2 6 -1 9 1 M END > 56642883 > 1 > 567 > 8 > 3 > 5 > AAADccB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEgBQAAAHgAcCAAADAzBmAcwzoByRgCpAjVzUwCSCAAgIgA6iAEm7JodJrKGsZugcCNm2BkP+Ae42LGOIEABAgACQABAgAIEAASAAAAAAAAAAA== > 3-(3,4-dihydroxyphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propanamide > 3-(3,4-dihydroxyphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide > 3-(3,4-dihydroxyphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide > 3-(3,4-dihydroxyphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide > 3-[3,4-bis(oxidanyl)phenyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide > 3-(3,4-dihydroxyphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propionamide > InChI=1S/C17H15N3O7/c21-13-3-1-10(5-14(13)22)2-4-17(23)19-18-8-11-6-15-16(27-9-26-15)7-12(11)20(24)25/h1,3,5-8,21-22H,2,4,9H2,(H,19,23)/b18-8+ > JSDHSJVUINYUGH-QGMBQPNBSA-N > 2 > 373.09099983 > C17H15N3O7 > 373.3 > C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CCC3=CC(=C(C=C3)O)O)[N+](=O)[O-] > C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CCC3=CC(=C(C=C3)O)O)[N+](=O)[O-] > 146 > 373.09099983 > 0 > 27 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 13 20 8 13 21 8 14 15 8 14 18 8 15 19 8 16 17 8 16 18 8 17 19 8 20 24 8 21 26 8 24 27 8 26 27 8 $$$$