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

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)pent-4-en-2-one Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)pent-4-en-2-one CAS Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)-4-penten-2-one IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)pent-4-en-2-one Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)pent-4-en-2-one Formula: C15H16ClN3O2 MolecularWeight: 305.75944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O2/c1-4-15(2,3)13(20)14(19-9-17-18-10-19)21-12-7-5-11(16)6-8-12/h4-10,14H,1H2,2-3H3