JOT

~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide

Created:	2019-03-14
Last modified:	2019-08-07

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1 entries where JOT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	6

2D diagram of JOT

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Chemical Component Summary
Name	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
Formula	C₁₂ H₁₂ N₂ O₃
Molecular Weight	232.235
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1C[CH](NC(=O)Cc2ccccc2)C(=O)N1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC(=O)NC2CC(=O)NC2=O
Canonical SMILES	CACTVS	3.385	O=C1C[C@H](NC(=O)Cc2ccccc2)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC(=O)N[C@H]2CC(=O)NC2=O
InChI	InChI	1.03	InChI=1S/C12H12N2O3/c15-10(6-8-4-2-1-3-5-8)13-9-7-11(16)14-12(9)17/h1-5,9H,6-7H2,(H,13,15)(H,14,16,17)/t9-/m0/s1
InChIKey	InChI	1.03	ZTMDMWMWWGOUHX-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	138756819

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