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

Systemtic Name: tert-butyl 1,2,4-triazole-1-carboxylate Openeye Name: tert-butyl 1,2,4-triazole-1-carboxylate CAS Name: 1,2,4-triazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1,2,4-triazole-1-carboxylate Traditional Name: 1,2,4-triazole-1-carboxylic acid tert-butyl ester Formula: C7H11N3O2 MolecularWeight: 169.18114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=NC=N1

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC=N1

InChI

InChI=1S/C7H11N3O2/c1-7(2,3)12-6(11)10-5-8-4-9-10/h4-5H,1-3H3