YHX

4-NITROQUINOLINE 1-OXIDE

Created:	2013-05-13
Last modified:	2014-09-05

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1 entries where YHX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	11

2D diagram of YHX

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Chemical Component Summary
Name	4-NITROQUINOLINE 1-OXIDE
Systematic Name (OpenEye OEToolkits)	4-nitro-1-oxidanidyl-quinolin-1-ium
Formula	C₉ H₆ N₂ O₃
Molecular Weight	190.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c2c1c(cccc1)[n+]([O-])cc2
SMILES	CACTVS	3.385	[O-][N+](=O)c1cc[n+]([O-])c2ccccc12
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	[O-][N+](=O)c1cc[n+]([O-])c2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H
InChIKey	InChI	1.03	YHQDZJICGQWFHK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5955
ChEMBL	CHEMBL127655
ChEBI	CHEBI:16907

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