2-(2-cyanophenyl)-5-ethoxycarbonyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-(2-cyanophenyl)-5-ethoxycarbonyl-pyrazole-3-carboxylic acid Openeye Name: 2-(2-cyanophenyl)-5-ethoxycarbonyl-pyrazole-3-carboxylic acid CAS Name: 2-(2-cyanophenyl)-5-ethoxycarbonyl-3-pyrazolecarboxylic acid IUPAC Name: 2-(2-cyanophenyl)-5-ethoxycarbonylpyrazole-3-carboxylic acid Traditional Name: 5-carbethoxy-2-(2-cyanophenyl)pyrazole-3-carboxylic acid Formula: C14H11N3O4 MolecularWeight: 285.25484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=O)O)C2=CC=CC=C2C#N

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(=O)O)C2=CC=CC=C2C#N

InChI

InChI=1S/C14H11N3O4/c1-2-21-14(20)10-7-12(13(18)19)17(16-10)11-6-4-3-5-9(11)8-15/h3-7H,2H2,1H3,(H,18,19)