I4H

~{N}-ethyl-4-methyl-3-nitro-benzamide

Created:2022-02-10
Last modified:  2022-08-22

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count27
Aromatic Bond Count6
2D diagram of I4H

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Chemical Component Summary

Name~{N}-ethyl-4-methyl-3-nitro-benzamide
Systematic Name (OpenEye OEToolkits)~{N}-ethyl-4-methyl-3-nitro-benzamide
FormulaC10 H12 N2 O3
Molecular Weight208.214
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O
SMILESOpenEye OEToolkits2.0.7CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])C
Canonical SMILESCACTVS3.385 CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits2.0.7 CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])C
InChIInChI1.06 InChI=1S/C10H12N2O3/c1-3-11-10(13)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyInChI1.06 NBDKJRNBTBHWNK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 4409470