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CAS Number: 221289-88-9
2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbonitrile

Structure

 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbonitrile
Name: 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbonitrile
Synonyms:
General Information
Product Number: 221289889

CAS Registry Number 221289-88-9
Name:
1H-?Benzimidazole-?5-?carbonitrile, 2,?3-?dihydro-?2-?oxo-
2-Oxo-2,3-dihydro-1H-benzimidazole-5-carbonitrile
5-Cyano-2-benzimidazolinone

 

Chemical Formula: C8H5N3O
Exact Mass: 159.04
Molecular Weight: 159.14
m/z: 159.04 (100.0%), 160.05 (8.7%), 160.04 (1.1%)

 

InChI:InChI=1S/C8H5N3O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,(H2,10,11,12)

InChI Key:HMERLJKYKSAIMU-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1C#N)NC(=O)N2

Specification

98%
References

(1) Ognyanov, Vassil I.; Journal of Medicinal Chemistry 2006, V49(12), P3719-3742 CAPLUS
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