959314-36-4
ETHYL 2,5-DIHYDRO-1-(4-NITROPHENYL)-5-OXO-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
NameETHYL 2,5-DIHYDRO-1-(4-NITROPHENYL)-5-OXO-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
1Identification
【Name】
ETHYL 2,5-DIHYDRO-1-(4-NITROPHENYL)-5-OXO-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD09877887
【EnglishSynonyms】
【pro_formula】
C11 H10 N4 O5
【pro_molWeight】
278.223
【Inchi】
InChI=1S/C11H10N4O5/c1-2-20-10(16)9-12-11(17)14(13-9)7-3-5-8(6-4-7)15(18)19/h3-6H,2H2,1H3,(H,12,13,17)
【InChIKey】
InChIKey=QECIUJJOADZZFS-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1[nH]c(=O)n(n1)c2ccc(cc2)[N+](=O)[O-]
【MOL File】
ETHYL 2,5-DIHYDRO-1-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:9
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 2,5-DIHYDRO-1-(4-NITROPHENYL)-5-OXO-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE.cml