1-(cyanomethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(cyanomethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(cyanomethyl)pyrazole-4-carboxylic acid CAS Name: 1-(cyanomethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(cyanomethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(cyanomethyl)pyrazole-4-carboxylic acid Formula: C6H5N3O2 MolecularWeight: 151.1228

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CC#N)C(=O)O

Isomeric SMILES

C1=C(C=NN1CC#N)C(=O)O

InChI

InChI=1S/C6H5N3O2/c7-1-2-9-4-5(3-8-9)6(10)11/h3-4H,2H2,(H,10,11)