1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(cyanomethylamino)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(cyanomethylamino)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(cyanomethylamino)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(cyanomethylamino)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C8H8N4O3 MolecularWeight: 208.17412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N4O3/c9-1-2-10-7(13)5-12-4-6(3-11-12)8(14)15/h3-4H,2,5H2,(H,10,13)(H,14,15)