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A1HZ7

Summary
Name:(5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
Formula:C13 H11 Cl N2 O3
Formal charge:0
Formula weight:278.691 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C13H11ClN2O3/c14-9-4-2-1-3-8(9)10-7-13(19-16-10)6-5-11(17)15-12(13)18/h1-4H,5-7H2,(H,15,17,18)/t13-/m0/s1
InChIKeyInChI1.06BUCCPXBJMQOJMQ-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385Clc1ccccc1C2=NO[C@@]3(CCC(=O)NC3=O)C2
SMILESCACTVS3.385Clc1ccccc1C2=NO[C]3(CCC(=O)NC3=O)C2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)C2=NO[C@]3(C2)CCC(=O)NC3=O)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)C2=NOC3(C2)CCC(=O)NC3=O)Cl

220760

PDB entries from 2024-06-05

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