AI0

1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide

Created:	2021-11-26
Last modified:	2022-11-30

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2 entries where AI0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	17

2D diagram of AI0

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Chemical Component Summary
Name	1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide
Synonyms	(Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide
Systematic Name (OpenEye OEToolkits)	1-(8-oxidanylquinolin-2-yl)-~{N}-(phenylmethyl)methanimine oxide
Formula	C₁₇ H₁₄ N₂ O₂
Molecular Weight	278.305
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cccc2ccc(C=[N+]([O-])Cc3ccccc3)nc12
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C[N+](=Cc2ccc3cccc(c3n2)O)[O-]
Canonical SMILES	CACTVS	3.385	Oc1cccc2ccc(/C=[N+]([O-])/Cc3ccccc3)nc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C/[N+](=C/c2ccc3cccc(c3n2)O)/[O-]
InChI	InChI	1.06	InChI=1S/C17H14N2O2/c20-16-8-4-7-14-9-10-15(18-17(14)16)12-19(21)11-13-5-2-1-3-6-13/h1-10,12,20H,11H2/b19-12-
InChIKey	InChI	1.06	SHXQVJVENHOUOF-UNOMPAQXSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.