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

Systemtic Name: 1-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(2-cyanoethylamino)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(2-cyanoethylamino)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(2-cyanoethylamino)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C9H10N4O3 MolecularWeight: 222.2007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O3/c10-2-1-3-11-8(14)6-13-5-7(4-12-13)9(15)16/h4-5H,1,3,6H2,(H,11,14)(H,15,16)