AJY

(3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one

Created:	2017-07-19
Last modified:	2017-12-20

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1 entries where AJY 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	6

2D diagram of AJY

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Chemical Component Summary
Name	(3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one
Systematic Name (OpenEye OEToolkits)	(3~{Z})-6-bromanyl-3-hydroxyimino-5-methyl-1~{H}-indol-2-one
Formula	C₉ H₇ Br N₂ O₂
Molecular Weight	255.068
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c/12c(NC(=O)C\1=N\O)cc(c(c2)C)Br
SMILES	CACTVS	3.385	Cc1cc2c(NC(=O)C2=NO)cc1Br
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c(cc1Br)NC(=O)C2=NO
Canonical SMILES	CACTVS	3.385	Cc1cc\2c(NC(=O)C\2=N\O)cc1Br
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc\2c(cc1Br)NC(=O)/C2=N\O
InChI	InChI	1.03	InChI=1S/C9H7BrN2O2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12-14/h2-3,14H,1H3,(H,11,12,13)
InChIKey	InChI	1.03	AGNBDYDENXJXFC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5562530, 5337901, 5562531

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