85387-16-2
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2-(HYDROXYMETHYL)-6-METHYL-4-(3-NITROPHENYL)-, 5-(2-(2-PROPENYLOXY)ETHYL) 3-(2-PROPOXYETHYL) ESTE R
Name3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2-(HYDROXYMETHYL)-6-METHYL-4-(3-NITROPHENYL)-, 5-(2-(2-PROPENYLOXY)ETHYL) 3-(2-PROPOXYETHYL) ESTE R
1Identification
【Name】
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2-(HYDROXYMETHYL)-6-METHYL-4-(3-NITROPHENYL)-, 5-(2-(2-PROPENYLOXY)ETHYL) 3-(2-PROPOXYETHYL) ESTE R
【CAS】
【MDL】
MFCD01758650
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H32 N2 O9
【pro_molWeight】
504.533
【Inchi】
InChI=1S/C25H32N2O9/c1-4-9-33-11-13-35-24(29)21-17(3)26-20(16-28)23(25(30)36-14-12-34-10-5-2)22(21)18-7-6-8-19(15-18)27(31)32/h4,6-8,15,22,26,28H,1,5,9-14,16H2,2-3H3
【InChIKey】
InChIKey=CIRHYDJLUFGXCX-UHFFFAOYSA-N
【SMILES】
CCCOCCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCOCC=C)C)CO
【MOL File】
3,5-PYRIDINEDICARBOX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:11
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2-(HYDROXYMETHYL)-6-METHYL-4-(3-NITROPHENYL)-, 5-(2-(2-PROPENYLOXY)ETHYL) 3-(2-PROPOXYETHYL) ESTE R.cml