NBI

2-nitro-N-phenylbenzamide

Created:	2010-02-15
Last modified:	2011-06-04

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1 entries where NBI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of NBI

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Chemical Component Summary
Name	2-nitro-N-phenylbenzamide
Systematic Name (OpenEye OEToolkits)	2-nitro-N-phenyl-benzamide
Formula	C₁₃ H₁₀ N₂ O₃
Molecular Weight	242.23
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	[O-][N+](=O)c1ccccc1C(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]
Canonical SMILES	CACTVS	3.352	[O-][N+](=O)c1ccccc1C(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C13H10N2O3/c16-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)
InChIKey	InChI	1.03	RNFCQIOHQPIUOI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	720051
CCDC/CSD	FACYAK

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