2NB

3-nitroquinolin-4-amine

Created:	2013-12-10
Last modified:	2013-12-18

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1 entries where 2NB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

2D diagram of 2NB

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Chemical Component Summary
Name	3-nitroquinolin-4-amine
Systematic Name (OpenEye OEToolkits)	3-nitroquinolin-4-amine
Formula	C₉ H₇ N₃ O₂
Molecular Weight	189.171
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1c(c2ccccc2nc1)N
SMILES	CACTVS	3.385	Nc1c2ccccc2ncc1[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N
Canonical SMILES	CACTVS	3.385	Nc1c2ccccc2ncc1[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N
InChI	InChI	1.03	InChI=1S/C9H7N3O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H,(H2,10,11)
InChIKey	InChI	1.03	SKPRPEJLFKCOAB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	280005

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