3,3-dimethyl-1-phenoxy-1-(1,2,3-triazol-1-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-phenoxy-1-(1,2,3-triazol-1-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-phenoxy-1-(triazol-1-yl)butan-2-one CAS Name: 3,3-dimethyl-1-phenoxy-1-(1-triazolyl)-2-butanone IUPAC Name: 3,3-dimethyl-1-phenoxy-1-(triazol-1-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-phenoxy-1-(triazol-1-yl)butan-2-one Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(N1C=CN=N1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)C(N1C=CN=N1)OC2=CC=CC=C2

InChI

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