DAP1_014111

Molecular Formula: C42H28Cl2F3N5O7


InChI: InChI=1/C42H28Cl2F3N5O7/c43-22-7-5-20(6-8-22)41-31(38(55)51(40(41)57)49-36-32(44)17-21(19-48-36)42(45,46)47)18-30-28(35(41)27-15-16-33(53)26-4-2-1-3-25(26)27)13-14-29-34(30)39(56)50(37(29)54)23-9-11-24(12-10-23)52(58)59/h1-13,15-17,19,29-31,34-35,53H,14,18H2,(H,48,49)/t29-,30+,31-,34-,35-,41+/m0/s1/f/h49H

InChIKey: InChIKey=MHVIUAXBJGZOAH-CGJBNECODS
SMILES: C1C=C2C(CC3C(=O)N(C(=O)C3(C2C4=CC=C(C5=CC=CC=C45)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl)C8C1C(=O)N(C8=O)C9=CC=C(C=C9)[N+](=O)[O-]

Names:
    DAP1_014111

Registries:
    PubChem CID 6651056
    PubChem ID 11268945