InChI=1S/C16H11N3O2/c1-8-14-11(13(7-20)18-19-16(14)21)6-10-9-4-2-3-5-12(9)17-15(8)10/h2-7,17H,1H3,(H,19,21) AuxInfo=1/1/N:18,15,16,14,17,2,19,1,13,10,3,12,8,4,9,5,11,7,6,20,21/rA:21CCCCCNNCCCNCCCCCCCCOO/rB:;d2;d1s3;s4;s5;s6;s3d7;s1;s2d9;s9;s11;s10d12;s13;d14;s15;s12d16;s1;s8;d19;d5;/rC:13.2929,-15.1117,0;13.289,-12.0244,0;14.6183,-12.7873,0;14.617,-14.336,0;15.9501,-15.1072,0;17.2933,-14.3381,0;17.2946,-12.7895,0;15.9527,-12.0098,0;11.9558,-14.3408,0;11.95,-12.8008,0;10.4931,-14.822,0;9.5831,-13.5798,0;10.4863,-12.3338,0;9.8585,-10.9326,0;8.3282,-10.7754,0;7.4277,-12.0304,0;8.0603,-13.4265,0;13.2984,-16.6524,0;15.9521,-10.4691,0;17.2857,-9.6982,0;15.9469,-16.6476,0;