RInChI=1.00.1S/C13H13BrN2O2/c1-2-18-13(17)9-5-8-6-10(14)3-4-11(8)16-12(15)7-9/h3-6H,2,7H2,1H3,(H2,15,16)!C15H21BClNO4/c1-6-18(13(19)20)10-7-8-11(12(17)9-10)16-21-14(2,3)15(4,5)22-16/h7-9H,6H2,1-5H3,(H,19,20)/p-1!C2H6O/c1-2-3/h3H,2H2,1H3!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C22H22ClN3O4/c1-3-29-21(27)15-10-14-9-13(5-8-19(14)26-20(24)11-15)17-7-6-16(12-18(17)23)25-22(28)30-4-2/h5-10,12H,3-4,11H2,1-2H3,(H2,24,26)(H,25,28)/d+
RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18/rA:18CCCCCCCCCCCCCBrNNOO/rB:s1;;d3;;;;s5s6;d5s7;s3d6;s4d8;s7;s9;s10;d12;s11s12;d13;s2s13;/rC:;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22/E:(2,3,4,5)(14,15)(19,20)(21,22)/rA:22CCCCCCCCCCCCCCCBClNOO-OO/rB:;;;;s1;;d7;;s7d9;s8;s9d11;;s2s3;s4s5s14;s11;s12;s6s10s13;d13;s13;s14s16;s15s16;/rC:;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3/rA:3CCO/rB:s1;s2;/rC:;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Cs+Cs+/rB:d1;s1;s1;;;/rC:;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30/rA:30CCCCCCCCCCCCCCCCCCCCCCClNNNOOOO/rB:;s1;s2;;;d6;d5;;;;;s5d9;s9s10;d10s11;s6d12;s7s13;s12d17;s8d14;s11;s15;;s18;d20;s16d22;s19s20;d21;s22;s3s21;s4s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Long-RInChIKey=SA-FUHFF-IXPNXVXHRMYNLR-UHFFFAOYSA-N-UXBAKHDRVDOZLV-UHFFFAOYSA-M-LFQSCWFLJHTTHZ-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--ACNSNEIZARWZGL-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-ZCWVRUTUSS-ACNSNEIZAR-UHFFFADPSC-KUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=DBGYKAGLKBOZLMRKP-KUHFFFADPSCTJSA