767305-63-5
4-(2-((4-ETHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
Name4-(2-((4-ETHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
1Identification
【Name】
4-(2-((4-ETHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05720959
【English Synonyms】
【Formula】
C25 H22 Br N3 O6
【MolWeight】
540.368
【Inchi】
InChI=1S/C25H22BrN3O6/c1-3-34-20-10-8-19(9-11-20)28-23(30)24(31)29-27-15-16-7-12-21(22(13-16)33-2)35-25(32)17-5-4-6-18(26)14-17/h4-15H,3H2,1-2H3,(H,28,30)(H,29,31)/b27-15+
【InChIKey】
InChIKey=KBYFGMFWIOCJRJ-JFLMPSFJSA-N
【SMILES】
CCOc1ccc(cc1)NC(=O)C(=O)N/N=C/c2ccc(c(c2)OC)OC(=O)c3cccc(c3)Br
【MOL File】
4-(2-((4-ETHOXYANILI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((4-ETHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE.cml