769148-67-6
4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154132
【English Synonyms】
【Formula】
C24 H20 Br N3 O6
【MolWeight】
526.341
【Inchi】
InChI=1S/C24H20BrN3O6/c1-32-19-8-3-15(4-9-19)24(31)34-21-12-5-17(25)13-16(21)14-26-28-23(30)22(29)27-18-6-10-20(33-2)11-7-18/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
【InChIKey】
InChIKey=BJHCYJMWBIMNEB-VULFUBBASA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3ccc(cc3)OC)Br
【MOL File】
4-BR-2-(2-((4-METHOX….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
4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml