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

Systemtic Name: 4-azido-2-(3-cyano-4-fluoranyl-phenyl)-5-ethoxycarbonyl-pyrazole-3-carboxylic acid Openeye Name: 4-azido-2-(3-cyano-4-fluoro-phenyl)-5-ethoxycarbonyl-pyrazole-3-carboxylic acid CAS Name: 4-azido-2-(3-cyano-4-fluorophenyl)-5-ethoxycarbonyl-3-pyrazolecarboxylic acid IUPAC Name: 4-azido-2-(3-cyano-4-fluorophenyl)-5-ethoxycarbonylpyrazole-3-carboxylic acid Traditional Name: 4-azido-5-carbethoxy-2-(3-cyano-4-fluoro-phenyl)pyrazole-3-carboxylic acid Formula: C14H9FN6O4 MolecularWeight: 344.257463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1N=[N+]=[N-])C(=O)O)C2=CC(=C(C=C2)F)C#N

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1N=[N+]=[N-])C(=O)O)C2=CC(=C(C=C2)F)C#N

InChI

InChI=1S/C14H9FN6O4/c1-2-25-14(24)11-10(18-20-17)12(13(22)23)21(19-11)8-3-4-9(15)7(5-8)6-16/h3-5H,2H2,1H3,(H,22,23)