(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(3-chloranylphenoxy)propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(3-chloranylphenoxy)propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(3-chlorophenoxy)propanoate CAS Name: 2-(3-chlorophenoxy)propanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-(3-chlorophenoxy)propanoate Traditional Name: 2-(3-chlorophenoxy)propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C(C)OC2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C(C)OC2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O3/c1-14-19(12-23)20(25(24-14)17-8-4-3-5-9-17)13-27-21(26)15(2)28-18-10-6-7-16(22)11-18/h3-11,15H,13H2,1-2H3