EJZ

5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Created:	2010-04-12
Last modified:	2020-06-05

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1 entries where EJZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	0

2D diagram of EJZ

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Chemical Component Summary
Name	5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Synonyms	5 Nitroorotic Acid
Systematic Name (OpenEye OEToolkits)	5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Formula	C₅ H₃ N₃ O₆
Molecular Weight	201.094
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(C(=O)O)=C(C(=O)N1)[N+]([O-])=O
SMILES	CACTVS	3.370	OC(=O)C1=C(C(=O)NC(=O)N1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.7.0	C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.370	OC(=O)C1=C(C(=O)NC(=O)N1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)
InChIKey	InChI	1.03	OPGJGRWULGFTOS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	86311526, 103442
ChEMBL	CHEMBL1614935

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