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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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count22
2D diagram of SKL

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Chemical Component Summary

Name2-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
FormulaC21 H14 Cl N3 O4
Molecular Weight407.807
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c1cc(c(Cl)cc1)C(=O)Nc1ccc(cc1)c1nc2cc(C)ccc2o1
SMILESCACTVS3.385Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4cc(ccc4Cl)[N+]([O-])=O)cc3
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)nc(o2)c3ccc(cc3)NC(=O)c4cc(ccc4Cl)[N+](=O)[O-]
Canonical SMILESCACTVS3.385 Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4cc(ccc4Cl)[N+]([O-])=O)cc3
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc2c(c1)nc(o2)c3ccc(cc3)NC(=O)c4cc(ccc4Cl)[N+](=O)[O-]
InChIInChI1.06 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)
InChIKeyInChI1.06 QOGCYSGDLXDRAI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 23963137