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Summary Geometry Related PDB entries

WFF

Summary

Name:	6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one
Formula:	C18 H11 F2 N O4
Formal charge:	0
Formula weight:	343.281 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one
OpenEye OEToolkits	1.7.6	6-[4-[2,4-bis(fluoranyl)phenyl]-5-oxidanylidene-2H-furan-3-yl]-4H-1,4-benzoxazin-3-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc4ccc(C=3C(=O)OCC=3c2cc1NC(=O)COc1cc2)c(F)c4
InChI	InChI	1.03	InChI=1S/C18H11F2NO4/c19-10-2-3-11(13(20)6-10)17-12(7-25-18(17)23)9-1-4-15-14(5-9)21-16(22)8-24-15/h1-6H,7-8H2,(H,21,22)
InChIKey	InChI	1.03	YDHMBCOVDPWSQA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(c(F)c1)C2=C(COC2=O)c3ccc4OCC(=O)Nc4c3
SMILES	CACTVS	3.385	Fc1ccc(c(F)c1)C2=C(COC2=O)c3ccc4OCC(=O)Nc4c3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2

222926

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