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Summary Geometry Related PDB entries

8QH

Summary

Name:	(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
Formula:	C20 H15 Cl2 N O3
Formal charge:	0
Formula weight:	388.244 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H15Cl2NO3/c1-10-2-4-11(5-3-10)23-9-14-15(24)7-6-12-13-8-16(25)17(21)18(22)20(13)26-19(12)14/h2-5,8-9,23,25H,6-7H2,1H3/b14-9+
InChIKey	InChI	1.03	ZCTFVCJEVPAGSA-NTEUORMPSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(N\C=C2/C(=O)CCc3c2oc4c(Cl)c(Cl)c(O)cc34)cc1
SMILES	CACTVS	3.385	Cc1ccc(NC=C2C(=O)CCc3c2oc4c(Cl)c(Cl)c(O)cc34)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)N/C=C\2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)NC=C2c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O

224004

数据于2024-08-21公开中

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