JO5

4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione

Created:	2019-03-13
Last modified:	2019-08-07

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1 entries where JO5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	6

2D diagram of JO5

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Chemical Component Summary
Name	4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
Systematic Name (OpenEye OEToolkits)	4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
Formula	C₁₂ H₉ N₃ O₄
Molecular Weight	259.218
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)N)C(=O)N(C2=O)C3CC(=O)NC3=O
Canonical SMILES	CACTVS	3.385	Nc1cccc2C(=O)N([C@H]3CC(=O)NC3=O)C(=O)c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O
InChI	InChI	1.03	InChI=1S/C12H9N3O4/c13-6-3-1-2-5-9(6)12(19)15(11(5)18)7-4-8(16)14-10(7)17/h1-3,7H,4,13H2,(H,14,16,17)/t7-/m0/s1
InChIKey	InChI	1.03	MSHTVRYXGFREAN-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	130431785

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