769153-40-4
4-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
Name4-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
1Identification
【Name】
4-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153429
【English Synonyms】
【Formula】
C25 H22 Cl N3 O5
【MolWeight】
479.918
【Inchi】
InChI=1S/C25H22ClN3O5/c1-3-16-8-11-18(12-9-16)28-23(30)24(31)29-27-15-17-10-13-21(22(14-17)33-2)34-25(32)19-6-4-5-7-20(19)26/h4-15H,3H2,1-2H3,(H,28,30)(H,29,31)/b27-15+
【InChIKey】
InChIKey=PTNGSGVKSYASCJ-JFLMPSFJSA-N
【SMILES】
CCc1ccc(cc1)NC(=O)C(=O)N/N=C/c2ccc(c(c2)OC)OC(=O)c3ccccc3Cl
【MOL File】
4-(2-((4-ETHYLANILIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE.cml