ethyl 2-(2-cyanoethyl)-5-(2-fluoranyl-4-methoxy-phenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(2-cyanoethyl)-5-(2-fluoranyl-4-methoxy-phenyl)pyrazole-3-carboxylate Openeye Name: ethyl 2-(2-cyanoethyl)-5-(2-fluoro-4-methoxy-phenyl)pyrazole-3-carboxylate CAS Name: 2-(2-cyanoethyl)-5-(2-fluoro-4-methoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-cyanoethyl)-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 2-(2-cyanoethyl)-5-(2-fluoro-4-methoxy-phenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C16H16FN3O3 MolecularWeight: 317.314943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CCC#N)C2=C(C=C(C=C2)OC)F

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CCC#N)C2=C(C=C(C=C2)OC)F

InChI

InChI=1S/C16H16FN3O3/c1-3-23-16(21)15-10-14(19-20(15)8-4-7-18)12-6-5-11(22-2)9-13(12)17/h5-6,9-10H,3-4,8H2,1-2H3