A1CBI

1-[5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone

Created:	2025-05-07
Last modified:	2025-07-09

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1 entries where A1CBI 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 A1CBI

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Chemical Component Summary
Name	1-[5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone
Systematic Name (OpenEye OEToolkits)	1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
Formula	C₁₀ H₁₀ N₂ O₃
Molecular Weight	206.198
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	[O-][N+](=O)c1cc2CCN(c2cc1)C(C)=O
SMILES	CACTVS	3.385	CC(=O)N1CCc2cc(ccc12)[N+]([O-])=O
SMILES	OpenEye OEToolkits	3.1.0.0	CC(=O)N1CCc2c1ccc(c2)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCc2cc(ccc12)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(=O)N1CCc2c1ccc(c2)[N+](=O)[O-]
InChI	InChI	1.06	InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3
InChIKey	InChI	1.06	OJKKTNFCWMBYMT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	36566
ChEMBL	CHEMBL1885568

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