1EB

N-(4-nitrophenyl)cyclopropanecarboxamide

Created:	2013-08-13
Last modified:	2013-09-25

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1 entries where 1EB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of 1EB

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Chemical Component Summary
Name	N-(4-nitrophenyl)cyclopropanecarboxamide
Systematic Name (OpenEye OEToolkits)	N-(4-nitrophenyl)cyclopropanecarboxamide
Formula	C₁₀ H₁₀ N₂ O₃
Molecular Weight	206.198
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccc([N+]([O-])=O)cc1)C2CC2
SMILES	CACTVS	3.370	[O-][N+](=O)c1ccc(NC(=O)C2CC2)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.370	[O-][N+](=O)c1ccc(NC(=O)C2CC2)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C10H10N2O3/c13-10(7-1-2-7)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H2,(H,11,13)
InChIKey	InChI	1.03	PXCMXAOVWGQBSS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2921832
ChEMBL	CHEMBL3127517

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