8SV

1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one

Created:2017-03-03
Last modified:  2017-03-15

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count30
Aromatic Bond Count6
2D diagram of 8SV

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Chemical Component Summary

Name1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Systematic Name (OpenEye OEToolkits)1,3-dimethyl-5-(methylamino)-6-nitro-benzimidazol-2-one
FormulaC10 H12 N4 O3
Molecular Weight236.227
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(c2c(cc1N(C(=O)N(c1c2)C)C)[N+]([O-])=O)C
SMILESCACTVS3.385CNc1cc2N(C)C(=O)N(C)c2cc1[N+]([O-])=O
SMILESOpenEye OEToolkits2.0.6CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C
Canonical SMILESCACTVS3.385 CNc1cc2N(C)C(=O)N(C)c2cc1[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits2.0.6 CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C
InChIInChI1.03 InChI=1S/C10H12N4O3/c1-11-6-4-8-9(5-7(6)14(16)17)13(3)10(15)12(8)2/h4-5,11H,1-3H3
InChIKeyInChI1.03 VKEVNWDJJFOSCD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2921509