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Summary Geometry Related PDB entries

DZ1

Summary

Name:	N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
Formula:	C15 H13 Br2 N O2
Formal charge:	0
Formula weight:	399.077 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
OpenEye OEToolkits	1.5.0	N-(3,5-dibromo-4-hydroxy-phenyl)-2,6-dimethyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1cc(cc(Br)c1O)NC(=O)c2c(cccc2C)C
SMILES_CANONICAL	CACTVS	3.341	Cc1cccc(C)c1C(=O)Nc2cc(Br)c(O)c(Br)c2
SMILES	CACTVS	3.341	Cc1cccc(C)c1C(=O)Nc2cc(Br)c(O)c(Br)c2
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C
SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C
InChI	InChI	1.03	InChI=1S/C15H13Br2NO2/c1-8-4-3-5-9(2)13(8)15(20)18-10-6-11(16)14(19)12(17)7-10/h3-7,19H,1-2H3,(H,18,20)
InChIKey	InChI	1.03	IFECSMFQARKPSU-UHFFFAOYSA-N

222415

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