4LF

N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide

Created:	2015-08-06
Last modified:	2024-09-27

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2 entries where 4LF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of 4LF

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Chemical Component Summary
Name	N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide
Systematic Name (OpenEye OEToolkits)	N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide
Formula	C₁₃ H₁₂ N₂ O₅
Molecular Weight	276.245
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cccc(C(=O)NCCN2C(=O)C=CC2=O)c1O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O
Canonical SMILES	CACTVS	3.385	Oc1cccc(C(=O)NCCN2C(=O)C=CC2=O)c1O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O
InChI	InChI	1.03	InChI=1S/C13H12N2O5/c16-9-3-1-2-8(12(9)19)13(20)14-6-7-15-10(17)4-5-11(15)18/h1-5,16,19H,6-7H2,(H,14,20)
InChIKey	InChI	1.03	BABSFPLAEBUXOA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122206750

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