R5C

(4-nitrophenyl) butanoate

Created:	2023-03-31
Last modified:	2024-12-25

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1 entries where R5C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of R5C

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Chemical Component Summary
Name	(4-nitrophenyl) butanoate
Systematic Name (OpenEye OEToolkits)	(4-nitrophenyl) butanoate
Formula	C₁₀ H₁₁ N O₄
Molecular Weight	209.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	2.0.7	CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
InChI	InChI	1.06	InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3
InChIKey	InChI	1.06	DVDUMIQZEUTAGK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	75834
ChEMBL	CHEMBL591439
ChEBI	CHEBI:85867

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.