2-(cyanomethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(cyanomethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(cyanomethyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(cyanomethyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(cyanomethyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(cyanomethyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C6H5N3O3 MolecularWeight: 167.1222

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NN(C1=O)CC#N)C(=O)O

Isomeric SMILES

C1=C(NN(C1=O)CC#N)C(=O)O

InChI

InChI=1S/C6H5N3O3/c7-1-2-9-5(10)3-4(8-9)6(11)12/h3,8H,2H2,(H,11,12)