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HK9

Summary
Name:2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid
Formula:C21 H16 N2 O4
Formal charge:0
Formula weight:360.363 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid
OpenEye OEToolkits1.7.62-methoxy-4-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccc(cc1OC)c4cc3Nc2c(cccc2)NC(=O)c3cc4
InChIInChI1.03InChI=1S/C21H16N2O4/c1-27-19-11-13(7-9-15(19)21(25)26)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,1H3,(H,23,24)(H,25,26)
InChIKeyInChI1.03OEIBPYXEHRSJOU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc(ccc1C(O)=O)c2ccc3C(=O)Nc4ccccc4Nc3c2
SMILESCACTVS3.370COc1cc(ccc1C(O)=O)c2ccc3C(=O)Nc4ccccc4Nc3c2
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O
SMILESOpenEye OEToolkits1.7.6COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O

222415

数据于2024-07-10公开中

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