477870-12-5
ETHYL 2-[2-METHYL-4-(4-NITROPHENYL)-3-OXO-1,2,4-OXADIAZOLAN-5-YL]ACETATE
NameETHYL 2-[2-METHYL-4-(4-NITROPHENYL)-3-OXO-1,2,4-OXADIAZOLAN-5-YL]ACETATE
1Identification
【Name】
ETHYL 2-[2-METHYL-4-(4-NITROPHENYL)-3-OXO-1,2,4-OXADIAZOLAN-5-YL]ACETATE
【CAS】
【MDL】
MFCD02082388
【English Synonyms】
【Formula】
C13 H15 N3 O6
【MolWeight】
309.276
【Inchi】
InChI=1S/C13H15N3O6/c1-3-21-12(17)8-11-15(13(18)14(2)22-11)9-4-6-10(7-5-9)16(19)20/h4-7,11H,3,8H2,1-2H3
【InChIKey】
InChIKey=HPTMVJJGWMHTLN-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CC1N(C(=O)N(O1)C)c2ccc(cc2)[N+](=O)[O-]
【MOL File】
ETHYL 2-[2-METHYL-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[2-METHYL-4-(4-NITROPHENYL)-3-OXO-1,2,4-OXADIAZOLAN-5-YL]ACETATE.cml