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CHEBI:109731 - 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester

Default Structure
ChEBI IDCHEBI:109731
ChEBI Name3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC15H18N4O3
Net Charge0
Average Mass302.334
Monoisotopic Mass302.13789
SMILESCOC(=O)c1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H18N4O3/c1-15(2,3)10-7-5-9(6-8-10)12(20)17-14-16-11(18-19-14)13(21)22-4/h5-8H,1-4H3,(H2,16,17,18,19,20)
InChIKeyLVKKWCOINMSBPK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester (CHEBI:109731) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-21159LINCS