823217-59-0
1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-(BENZOYLOXY)-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE
Name1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-(BENZOYLOXY)-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE
1Identification
【Name】
1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-(BENZOYLOXY)-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE
【CAS】
【MDL】
MFCD16039004
【EnglishSynonyms】
【pro_formula】
C22 H22 N2 O7
【pro_molWeight】
426.423
【Inchi】
InChI=1S/C22H22N2O7/c1-5-29-20(26)17-12-15-11-16(30-19(25)14-9-7-6-8-10-14)13-23(28)18(15)24(17)21(27)31-22(2,3)4/h6-13H,5H2,1-4H3
【InChIKey】
InChIKey=CZBRUKJSLDHRIJ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc2cc(c[n+](c2n1C(=O)OC(C)(C)C)[O-])OC(=O)c3ccccc3
【MOL File】
1H-PYRROLO[2,3-B]PYR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:9
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-(BENZOYLOXY)-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE.cml