767335-91-1
3-(2-(4-(ALLYLOXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name3-(2-(4-(ALLYLOXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
3-(2-(4-(ALLYLOXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153291
【English Synonyms】
【Formula】
C25 H22 N2 O5
【MolWeight】
430.458
【Inchi】
InChI=1S/C25H22N2O5/c1-3-15-31-22-13-7-19(8-14-22)24(28)27-26-17-18-5-4-6-23(16-18)32-25(29)20-9-11-21(30-2)12-10-20/h3-14,16-17H,1,15H2,2H3,(H,27,28)/b26-17+
【InChIKey】
InChIKey=SMJTYVYBQGTAKT-YZSQISJMSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2cccc(c2)/C=N/NC(=O)c3ccc(cc3)OCC=C
【MOL File】
3-(2-(4-(ALLYLOXY)BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(4-(ALLYLOXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml