1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one CAS Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)-2-butanone IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one Formula: C14H16ClN3O2 MolecularWeight: 293.74874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(N1C=NN=C1)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C(=O)C(N1C=NN=C1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-8-16-17-9-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3