SKL

2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide

Created:	2022-07-07
Last modified:	2024-09-27

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1 entries where SKL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	22

2D diagram of SKL

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Chemical Component Summary
Name	2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-~{N}-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide
Formula	C₂₁ H₁₄ Cl N₃ O₄
Molecular Weight	407.807
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1cc(c(Cl)cc1)C(=O)Nc1ccc(cc1)c1nc2cc(C)ccc2o1
SMILES	CACTVS	3.385	Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4cc(ccc4Cl)[N+]([O-])=O)cc3
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)nc(o2)c3ccc(cc3)NC(=O)c4cc(ccc4Cl)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4cc(ccc4Cl)[N+]([O-])=O)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)nc(o2)c3ccc(cc3)NC(=O)c4cc(ccc4Cl)[N+](=O)[O-]
InChI	InChI	1.06	InChI=1S/C21H14ClN3O4/c1-12-2-9-19-18(10-12)24-21(29-19)13-3-5-14(6-4-13)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26)
InChIKey	InChI	1.06	QOGCYSGDLXDRAI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	23963137

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