2ZM

5-nitro-1H-benzimidazole

Created:	2013-09-20
Last modified:	2014-02-19

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2 entries where 2ZM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	10

2D diagram of 2ZM

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Chemical Component Summary
Name	5-nitro-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	5-nitro-1H-benzimidazole
Formula	C₇ H₅ N₃ O₂
Molecular Weight	163.133
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1cc2ncnc2cc1
SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc2[nH]cnc2c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1[N+](=O)[O-])nc[nH]2
Canonical SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc2[nH]cnc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1[N+](=O)[O-])nc[nH]2
InChI	InChI	1.03	InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
InChIKey	InChI	1.03	XPAZGLFMMUODDK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7195, 86262143
ChEMBL	CHEMBL164921
CCDC/CSD	WURPUV, WURPIJ, WURPOP

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