74980-07-7
DIETHYL 2-(ACETAMINDO)-2-(2-METHYL-5-NITROBENZYL)MALONATE
NameDIETHYL 2-(ACETAMINDO)-2-(2-METHYL-5-NITROBENZYL)MALONATE
1Identification
【Name】
DIETHYL 2-(ACETAMINDO)-2-(2-METHYL-5-NITROBENZYL)MALONATE
【CAS】
【MDL】
MFCD09751313
【English Synonyms】
【Formula】
C17 H22 N2 O7
【MolWeight】
366.368
【Inchi】
InChI=1S/C17H22N2O7/c1-5-25-15(21)17(18-12(4)20,16(22)26-6-2)10-13-9-14(19(23)24)8-7-11(13)3/h7-9H,5-6,10H2,1-4H3,(H,18,20)
【InChIKey】
InChIKey=XZYFXIARMJFOGN-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(Cc1cc(ccc1C)[N+](=O)[O-])(C(=O)OCC)NC(=O)C
【MOL File】
DIETHYL 2-(ACETAMIND….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL 2-(ACETAMINDO)-2-(2-METHYL-5-NITROBENZYL)MALONATE.cml