108914-41-6
3,5-PYRIDINEDICARBOXYLIC ACID 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, (2-(2,4-DICHLOROPHENYL)-2-METHYL-1,3-DIOXOLAN-4-YL)METHYL METHYL ESTER
Name3,5-PYRIDINEDICARBOXYLIC ACID 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, (2-(2,4-DICHLOROPHENYL)-2-METHYL-1,3-DIOXOLAN-4-YL)METHYL METHYL ESTER
pro_formulaC27 H26 Cl2 N2 O8
1Identification
【Name】
3,5-PYRIDINEDICARBOXYLIC ACID 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, (2-(2,4-DICHLOROPHENYL)-2-METHYL-1,3-DIOXOLAN-4-YL)METHYL METHYL ESTER
【CAS】
【MDL】
MFCD01758629
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H26 Cl2 N2 O8
【pro_molWeight】
577.414
【Inchi】
InChI=1S/C27H26Cl2N2O8/c1-14-22(25(32)36-4)24(16-6-5-7-18(10-16)31(34)35)23(15(2)30-14)26(33)37-12-19-13-38-27(3,39-19)20-9-8-17(28)11-21(20)29/h5-11,19,24,30H,12-13H2,1-4H3
【InChIKey】
InChIKey=RUZQJFLDSQRJEW-UHFFFAOYSA-N
【SMILES】
CC1=C(C(C(=C(N1)C)C(=O)OCC2COC(O2)(C)c3ccc(cc3Cl)Cl)c4cccc(c4)[N+](=O)[O-])C(=O)OC
【MOL File】
3,5-PYRIDINEDICARBOX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:10
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3,5-PYRIDINEDICARBOXYLIC ACID 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, (2-(2,4-DICHLOROPHENYL)-2-METHYL-1,3-DIOXOLAN-4-YL)METHYL METHYL ESTER.cml