769156-61-8
2-MEO-4-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
Name2-MEO-4-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
1Identification
【Name】
2-MEO-4-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154335
【English Synonyms】
【Formula】
C24 H20 Br N3 O6
【MolWeight】
526.341
【Inchi】
InChI=1S/C24H20BrN3O6/c1-32-19-9-7-18(8-10-19)27-22(29)23(30)28-26-14-15-6-11-20(21(12-15)33-2)34-24(31)16-4-3-5-17(25)13-16/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
【InChIKey】
InChIKey=JJDUMCIFGLUUBS-VULFUBBASA-N
【SMILES】
COc1ccc(cc1)NC(=O)C(=O)N/N=C/c2ccc(c(c2)OC)OC(=O)c3cccc(c3)Br
【MOL File】
2-MEO-4-(2-((4-METHO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MEO-4-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE.cml