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

Systemtic Name: 3-(4-chloranylphenoxy)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 3-(4-chlorophenoxy)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 3-(4-chlorophenoxy)-3-methyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 3-(4-chlorophenoxy)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 3-(4-chlorophenoxy)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CN1C=NC=N1)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)CN1C=NC=N1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O2/c1-13(2,12(18)7-17-9-15-8-16-17)19-11-5-3-10(14)4-6-11/h3-6,8-9H,7H2,1-2H3