VOB

~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine

Created:	2023-03-21
Last modified:	2024-04-03

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1 entries where VOB is found as a standalone ligand

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Chemical Details
Formal Charge	4
Atom Count	35
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of VOB

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Chemical Component Summary
Name	~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine
Systematic Name (OpenEye OEToolkits)	~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine
Formula	C₁₂ H₁₈ N₂ O₃
Molecular Weight	238.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O
Canonical SMILES	CACTVS	3.385	CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O
InChI	InChI	1.06	InChI=1S/C12H18N2O3/c1-3-13(4-2)9-10-17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,9-10H2,1-2H3/q+4
InChIKey	InChI	1.06	WUOVDRBJVQQBFM-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.