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HK8

Summary
Name:(3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid
Formula:C15 H11 Cl N2 O3
Formal charge:0
Formula weight:302.712 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid
OpenEye OEToolkits1.7.62-(9-chloranyl-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)Cc3cc1c(Nc2c(C(=O)N1)ccc(Cl)c2)cc3
InChIInChI1.03InChI=1S/C15H11ClN2O3/c16-9-2-3-10-12(7-9)17-11-4-1-8(6-14(19)20)5-13(11)18-15(10)21/h1-5,7,17H,6H2,(H,18,21)(H,19,20)
InChIKeyInChI1.03MFBFXFHWNXYFCJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)Cc1ccc2Nc3cc(Cl)ccc3C(=O)Nc2c1
SMILESCACTVS3.370OC(=O)Cc1ccc2Nc3cc(Cl)ccc3C(=O)Nc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl
SMILESOpenEye OEToolkits1.7.6c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl

222415

数据于2024-07-10公开中

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