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

Systemtic Name: tert-butyl 2-phenyl-2-(1,2,4-triazol-1-yl)ethanoate Openeye Name: tert-butyl 2-phenyl-2-(1,2,4-triazol-1-yl)acetate CAS Name: 2-phenyl-2-(1,2,4-triazol-1-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-phenyl-2-(1,2,4-triazol-1-yl)acetate Traditional Name: 2-phenyl-2-(1,2,4-triazol-1-yl)acetic acid tert-butyl ester Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CC=CC=C1)N2C=NC=N2

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=CC=CC=C1)N2C=NC=N2

InChI

InChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)12(17-10-15-9-16-17)11-7-5-4-6-8-11/h4-10,12H,1-3H3