7ZE

5-nitroquinoline

Created:	2013-07-31
Last modified:	2014-02-26

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1 entries where 7ZE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	11

2D diagram of 7ZE

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Chemical Component Summary
Name	5-nitroquinoline
Systematic Name (OpenEye OEToolkits)	5-nitroquinoline
Formula	C₉ H₆ N₂ O₂
Molecular Weight	174.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1cccc2ncccc12
SMILES	CACTVS	3.385	[O-][N+](=O)c1cccc2ncccc12
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cccn2)c(c1)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	[O-][N+](=O)c1cccc2ncccc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cccn2)c(c1)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H
InChIKey	InChI	1.03	NDDZXHOCOKCNBM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11829
ChEMBL	CHEMBL164449
CCDC/CSD	XOWVUD, XAPWOA, PANZEJ, NUBHIE, GISGUK, NUBHEA, PANYIM

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.