ethyl 4-azanyl-2-(3-chloranyl-4-fluoranyl-phenyl)-5-cyano-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(3-chloranyl-4-fluoranyl-phenyl)-5-cyano-pyrazole-3-carboxylate Openeye Name: ethyl 4-amino-2-(3-chloro-4-fluoro-phenyl)-5-cyano-pyrazole-3-carboxylate CAS Name: 4-amino-2-(3-chloro-4-fluorophenyl)-5-cyano-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3-chloro-4-fluorophenyl)-5-cyanopyrazole-3-carboxylate Traditional Name: 4-amino-2-(3-chloro-4-fluoro-phenyl)-5-cyano-pyrazole-3-carboxylic acid ethyl ester Formula: C13H10ClFN4O2 MolecularWeight: 308.695503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)C#N)N

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)C#N)N

InChI

InChI=1S/C13H10ClFN4O2/c1-2-21-13(20)12-11(17)10(6-16)18-19(12)7-3-4-9(15)8(14)5-7/h3-5H,2,17H2,1H3