tert-butyl 3-ethanoyl-1,2,4-triazole-1-carboxylate

Systemtic Name: tert-butyl 3-ethanoyl-1,2,4-triazole-1-carboxylate Openeye Name: tert-butyl 3-acetyl-1,2,4-triazole-1-carboxylate CAS Name: 3-acetyl-1,2,4-triazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetyl-1,2,4-triazole-1-carboxylate Traditional Name: 3-acetyl-1,2,4-triazole-1-carboxylic acid tert-butyl ester Formula: C9H13N3O3 MolecularWeight: 211.21782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C=N1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=NN(C=N1)C(=O)OC(C)(C)C

InChI

InChI=1S/C9H13N3O3/c1-6(13)7-10-5-12(11-7)8(14)15-9(2,3)4/h5H,1-4H3