ethyl 2-chloranyl-5-(5-cyano-1,4-dimethyl-pyrazol-3-yl)-4-fluoranyl-benzoate

Systemtic Name: ethyl 2-chloranyl-5-(5-cyano-1,4-dimethyl-pyrazol-3-yl)-4-fluoranyl-benzoate Openeye Name: ethyl 2-chloro-5-(5-cyano-1,4-dimethyl-pyrazol-3-yl)-4-fluoro-benzoate CAS Name: 2-chloro-5-(5-cyano-1,4-dimethyl-3-pyrazolyl)-4-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-(5-cyano-1,4-dimethylpyrazol-3-yl)-4-fluorobenzoate Traditional Name: 2-chloro-5-(5-cyano-1,4-dimethyl-pyrazol-3-yl)-4-fluoro-benzoic acid ethyl ester Formula: C15H13ClFN3O2 MolecularWeight: 321.734023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C(=C1)C2=NN(C(=C2C)C#N)C)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C(=C1)C2=NN(C(=C2C)C#N)C)F)Cl

InChI

InChI=1S/C15H13ClFN3O2/c1-4-22-15(21)9-5-10(12(17)6-11(9)16)14-8(2)13(7-18)20(3)19-14/h5-6H,4H2,1-3H3