2-(3-cyano-4-fluoranyl-phenyl)-5-ethoxycarbonyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-(3-cyano-4-fluoranyl-phenyl)-5-ethoxycarbonyl-pyrazole-3-carboxylic acid Openeye Name: 2-(3-cyano-4-fluoro-phenyl)-5-ethoxycarbonyl-pyrazole-3-carboxylic acid CAS Name: 2-(3-cyano-4-fluorophenyl)-5-ethoxycarbonyl-3-pyrazolecarboxylic acid IUPAC Name: 2-(3-cyano-4-fluorophenyl)-5-ethoxycarbonylpyrazole-3-carboxylic acid Traditional Name: 5-carbethoxy-2-(3-cyano-4-fluoro-phenyl)pyrazole-3-carboxylic acid Formula: C14H10FN3O4 MolecularWeight: 303.245303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10FN3O4/c1-2-22-14(21)11-6-12(13(19)20)18(17-11)9-3-4-10(15)8(5-9)7-16/h3-6H,2H2,1H3,(H,19,20)