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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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