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)!C13H18BClO2/c1-9-7-6-8-10(11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3!C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C20H19ClN2O2/c1-3-25-20(24)15-10-14-9-13(7-8-17(14)23-18(22)11-15)16-6-4-5-12(2)19(16)21/h4-10H,3,11H2,1-2H3,(H2,22,23)<>C2H6O/c1-2-3/h3H,2H2,1H3!H2O/h1H2/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:;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17/E:(2,3,4,5)(12,13)(16,17)/rA:17CCCCCCCCCCCCCBClOO/rB:;;;;;d6;s6;s1s7;d8;d9s10;s2s3;s4s5s12;s10;s11;s12s14;s13s14;/rC:;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7/E:(3,4)(5,6)/rA:7CCCCCCC/rB:;d2;s2;s3;d4;s1d5s6;/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/rA:25CCCCCCCCCCCCCCCCCCCCClNNOO/rB:;s1;;d4;s4;;d7;;;;s2s5;s7d9;s9s10;d10s11;d6s13;s8d14;s11;d12s16;s15;s19;d18;s17s18;d20;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3/rA:3CCO/rB:s1;s2;/rC:;;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-FUHFF-IXPNXVXHRMYNLR-UHFFFAOYSA-N-SLRYPKONAASHKM-UHFFFAOYSA-N-YXFVVABEGXRONW-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--NTLIEQUTQZKBHT-UHFFFAOYSA-N--LFQSCWFLJHTTHZ-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-KHNJVAKTFM-NTLIEQUTQZ-MGIILTLKJW-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=YOBVGZNRMDFUDVIKQ-LUHFFFADPSCTJSA