866157-74-6
DIETHYL 2-([4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]METHYLENE)MALONATE
NameDIETHYL 2-([4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]METHYLENE)MALONATE
1Identification
【Name】
DIETHYL 2-([4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]METHYLENE)MALONATE
【CAS】
【MDL】
MFCD05670030
【English Synonyms】
【Formula】
C16 H17 N3 O4
【MolWeight】
315.327
【Inchi】
InChI=1S/C16H17N3O4/c1-3-22-15(20)14(16(21)23-4-2)9-12-5-7-13(8-6-12)19-11-17-10-18-19/h5-11H,3-4H2,1-2H3
【InChIKey】
InChIKey=YTDXXHUOKUOWEB-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(=Cc1ccc(cc1)n2cncn2)C(=O)OCC
【MOL File】
DIETHYL 2-([4-(1H-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL 2-([4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]METHYLENE)MALONATE.cml