Compound C17H16BrClN4O5

[2-[[2-[2-(2-chloro-4-nitrobenzoyl)anilino]-2-oxoethyl]amino]-2-oxoethyl]azanium bromide

CAS: 76337-90-1

Molecular Formula	`C17H16BrClN4O5`
Molecular Weight	471.7 g/mol
Topological Polar Surface Area	149.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	469.99927
Heavy Atoms	28
Complexity	582.0

Chemical Identifiers

CAS Number	76337-90-1
SMILES	`C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)CNC(=O)C[NH3+].[Br-]`
InChIKey	`WAVRVFCNDZMFRF-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H16BrClN4O5 (CAS: 76337-90-1) is a chemical compound with molecular formula C17H16BrClN4O5 and molecular weight 471.7 g/mol. Its IUPAC systematic name is [2-[[2-[2-(2-chloro-4-nitrobenzoyl)anilino]-2-oxoethyl]amino]-2-oxoethyl]azanium bromide. Topological Polar Surface Area 149.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 469.99927 Heavy Atoms 28 Complexity 582.0 InChI Key: WAVRVFCNDZMFRF-UHFFFAOYSA-N. SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)CNC(=O)C[NH3+].[Br-].

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