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W2E

Summary
Name:METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BENZOATE
Formula:C16 H12 N2 O3
Formal charge:0
Formula weight:280.278 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzoate
OpenEye OEToolkits1.9.2methyl 4-(4-oxidanylidene-3H-quinazolin-2-yl)benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChIInChI1.03InChI=1S/C16H12N2O3/c1-21-16(20)11-8-6-10(7-9-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-9H,1H3,(H,17,18,19)
InChIKeyInChI1.03WBNLAUIGSCBBTF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESCACTVS3.385COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES_CANONICALOpenEye OEToolkits1.9.2COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESOpenEye OEToolkits1.9.2COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2

222415

數據於2024-07-10公開中

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