CAS Registry Number®
536759-91-8
CAS Name
Ethyl 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
Molecular Formula
C22H20N4O6
Molecular Mass
436.42
Compound Properties
-
Melting Point (1)
159.6-161.3 °C
Source(s)
- (1) Wang, Yong; Bioorganic & Medicinal Chemistry, (2016), 24(21), 5646-5661, CAplus
Other Names and Identifiers
InChI
InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3
InChIKey
InChIKey=RQNAOIQEGPVYTC-UHFFFAOYSA-N
SMILES
O=C1C=2N(N=C(C(OCC)=O)C2CCN1C3=CC=C(N(=O)=O)C=C3)C4=CC=C(OC)C=C4
Canonical SMILES
O=C(OCC)C1=NN(C2=CC=C(OC)C=C2)C=3C(=O)N(C4=CC=C(C=C4)N(=O)=O)CCC13
Other Names for this Substance
- 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-, ethyl ester
- Ethyl 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
