H4E

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Summary

Name:ethyl 4-azanyl-3-bromanyl-benzoate
Formula:C9 H10 Br N O2
Formal charge:0
Molecular weight:244.085 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6ethyl 4-azanyl-3-bromanyl-benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
InChIKeyInChI1.03NOGUJGZZMMKQOZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1ccc(N)c(Br)c1
SMILESCACTVS3.385CCOC(=O)c1ccc(N)c(Br)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)c1ccc(c(c1)Br)N
SMILESOpenEye OEToolkits2.0.6CCOC(=O)c1ccc(c(c1)Br)N