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)!C15H19BClNO4/c1-14(2)15(3,4)22-16(21-14)11-6-5-10(9-12(11)17)18-7-8-20-13(18)19/h5-6,9H,7-8H2,1-4H3!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!CH4O/c1-2/h2H,1H3<>C22H20ClN3O4/c1-2-29-21(27)15-10-14-9-13(3-6-19(14)25-20(24)11-15)17-5-4-16(12-18(17)23)26-7-8-30-22(26)28/h3-6,9-10,12H,2,7-8,11H2,1H3,(H2,24,25)<>C2H6O/c1-2-3/h3H,2H2,1H3/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:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22/E:(1,2,3,4)(14,15)(21,22)/rA:22CCCCCCCCCCCCCCCBClNOOOO/rB:;;;;d5;;s7;;s5d9;s6;s9d11;;s1s2;s3s4s14;s11;s12;s7s10s13;d13;s8s13;s14s16;s15s16;/rC:;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Cs+Cs+/rB:d1;s1;s1;;;/rC:;;;;;;!0/N:1,2/rA:2CO/rB: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;;;d4;d3;;s7;;;;;s3d9;s9s10;d10s11;s4d12;s5s13;s12d17;s6d14;s11;s15;;s18;d20;s19s20;s7s16s22;d21;d22;s2s21;s8s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3/rA:3CCO/rB:s1;s2;/rC:;;;
Long-RInChIKey=SA-FUHFF-IXPNXVXHRMYNLR-UHFFFAOYSA-N-HMJXMVHFBRXGJS-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L-OKKJLVBELUTLKV-UHFFFAOYSA-N--IKSDQLFCAPNRDV-UHFFFAOYSA-N--LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-GCCYQAKIHS-IKSDQLFCAP-LFQSCWFLJH-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=XSRJWDKLCRRCFZAHM-LUHFFFADPSCTJSA