ethyl 2-(cyanomethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 2-(cyanomethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate Openeye Name: ethyl 2-(cyanomethyl)-3-oxo-1H-pyrazole-5-carboxylate CAS Name: 2-(cyanomethyl)-3-oxo-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethyl)-3-oxo-1H-pyrazole-5-carboxylate Traditional Name: 1-(cyanomethyl)-5-keto-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C8H9N3O3 MolecularWeight: 195.17536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N(N1)CC#N

Isomeric SMILES

CCOC(=O)C1=CC(=O)N(N1)CC#N

InChI

InChI=1S/C8H9N3O3/c1-2-14-8(13)6-5-7(12)11(10-6)4-3-9/h5,10H,2,4H2,1H3