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Summary

Name:3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
Formula:C10 H11 Br N2 O2
Formal charge:0
Molecular weight:271.111 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
OpenEye OEToolkits2.0.67-(bromomethyl)-1,2,6-trimethyl-pyrazolo[1,2-a]pyrazole-3,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(=O)C(C)=C(C)N2C(=C(C(=O)N12)C)CBr
InChIInChI1.03InChI=1S/C10H11BrN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3
InChIKeyInChI1.03AHEWZZJEDQVLOP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=C(C)C(=O)N2N1C(=C(C)C2=O)CBr
SMILESCACTVS3.385CC1=C(C)C(=O)N2N1C(=C(C)C2=O)CBr
SMILES_CANONICALOpenEye OEToolkits2.0.6CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C
SMILESOpenEye OEToolkits2.0.6CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C