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

Systemtic Name: 2-(1-cyanoethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(1-cyanoethyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(1-cyanoethyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(1-cyanoethyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(1-cyanoethyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C7H7N3O3 MolecularWeight: 181.14878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1C(=O)C=C(N1)C(=O)O

Isomeric SMILES

CC(C#N)N1C(=O)C=C(N1)C(=O)O

InChI

InChI=1S/C7H7N3O3/c1-4(3-8)10-6(11)2-5(9-10)7(12)13/h2,4,9H,1H3,(H,12,13)