767330-73-4
3-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name3-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
3-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD06199717
【English Synonyms】
【Formula】
C26 H20 N2 O4
【MolWeight】
424.454
【Inchi】
InChI=1S/C26H20N2O4/c1-31-21-14-12-20(13-15-21)26(30)32-22-9-4-6-18(16-22)17-27-28-25(29)24-11-5-8-19-7-2-3-10-23(19)24/h2-17H,1H3,(H,28,29)/b27-17+
【InChIKey】
InChIKey=MSOKHYLMPONNHO-WPWMEQJKSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2cccc(c2)/C=N/NC(=O)c3cccc4c3cccc4
【MOL File】
3-(2-(1-NAPHTHOYL)CA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml