617697-34-4
4-(4-BROMOBENZOYL)-3-HYDROXY-5-(3-NITROPHENYL)-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name4-(4-BROMOBENZOYL)-3-HYDROXY-5-(3-NITROPHENYL)-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
pro_formulaC22 H19 Br N2 O6
1Identification
【Name】
4-(4-BROMOBENZOYL)-3-HYDROXY-5-(3-NITROPHENYL)-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03719401
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H19 Br N2 O6
【pro_molWeight】
487.304
【Inchi】
InChI=1S/C22H19BrN2O6/c23-15-8-6-13(7-9-15)20(26)18-19(14-3-1-4-16(11-14)25(29)30)24(22(28)21(18)27)12-17-5-2-10-31-17/h1,3-4,6-9,11,17,19,27H,2,5,10,12H2
【InChIKey】
InChIKey=NJCQIHBYYWQTFV-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)[N+](=O)[O-])C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)c4ccc(cc4)Br
【MOL File】
4-(4-BROMOBENZOYL)-3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(4-BROMOBENZOYL)-3-HYDROXY-5-(3-NITROPHENYL)-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml