tert-butyl 2-(1,2,4-triazol-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(1,2,4-triazol-1-yl)ethanoate Openeye Name: tert-butyl 2-(1,2,4-triazol-1-yl)acetate CAS Name: 2-(1,2,4-triazol-1-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,2,4-triazol-1-yl)acetate Traditional Name: 2-(1,2,4-triazol-1-yl)acetic acid tert-butyl ester Formula: C8H13N3O2 MolecularWeight: 183.20772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC=N1

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC=N1

InChI

InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)4-11-6-9-5-10-11/h5-6H,4H2,1-3H3