AO0

1-[3-(diphenoxyphosphorylamino)phenyl]ethanone

Created:	2023-05-16
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	18

2D diagram of AO0

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Chemical Component Summary
Name	1-[3-(diphenoxyphosphorylamino)phenyl]ethanone
Systematic Name (OpenEye OEToolkits)	1-[3-(diphenoxyphosphorylamino)phenyl]ethanone
Formula	C₂₀ H₁₈ N O₄ P
Molecular Weight	367.335
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)c1cccc(N[P](=O)(Oc2ccccc2)Oc3ccccc3)c1
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)c1cccc(c1)NP(=O)(Oc2ccccc2)Oc3ccccc3
Canonical SMILES	CACTVS	3.385	CC(=O)c1cccc(N[P](=O)(Oc2ccccc2)Oc3ccccc3)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)c1cccc(c1)NP(=O)(Oc2ccccc2)Oc3ccccc3
InChI	InChI	1.06	InChI=1S/C20H18NO4P/c1-16(22)17-9-8-10-18(15-17)21-26(23,24-19-11-4-2-5-12-19)25-20-13-6-3-7-14-20/h2-15H,1H3,(H,21,23)
InChIKey	InChI	1.06	UTGDURAFAYPCHO-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.