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

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethoxy-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethoxy-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 1-(4-chlorophenoxy)-3,3-dimethoxy-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethoxy-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethoxy-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C14H16ClN3O4 MolecularWeight: 325.74754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)(OC)OC

Isomeric SMILES

CC(C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)(OC)OC

InChI

InChI=1S/C14H16ClN3O4/c1-14(20-2,21-3)12(19)13(18-9-16-8-17-18)22-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3