diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium2,4,6-trinitrophenolate

diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium;2,4,6-trinitrophenolate

CAS: 101418-17-1

Molecular Formula	`C21H25N5O8`
Molecular Weight	475.5 g/mol
Topological Polar Surface Area	185.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	475.17032
Heavy Atoms	34
Complexity	567.0

Chemical Identifiers

CAS Number	101418-17-1
SMILES	`CC[NH+](CC)CCN1C(=O)CCC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`MVBBJMDUOXYILA-UHFFFAOYSA-N`

📖 Product Overview

diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium2,4,6-trinitrophenolate (CAS: 101418-17-1) is a chemical compound with molecular formula C21H25N5O8 and molecular weight 475.5 g/mol. Its IUPAC systematic name is diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium;2,4,6-trinitrophenolate. Topological Polar Surface Area 185.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 475.17032 Heavy Atoms 34 Complexity 567.0 InChI Key: MVBBJMDUOXYILA-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCN1C(=O)CCC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].

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