ethyl 3-oxidanylidene-5-pentyl-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-oxidanylidene-5-pentyl-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-oxo-5-pentyl-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-oxo-5-pentyl-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-oxo-5-pentyl-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-amyl-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C11H18N2O3 MolecularWeight: 226.27222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=O)NN1)C(=O)OCC

Isomeric SMILES

CCCCCC1=C(C(=O)NN1)C(=O)OCC

InChI

InChI=1S/C11H18N2O3/c1-3-5-6-7-8-9(10(14)13-12-8)11(15)16-4-2/h3-7H2,1-2H3,(H2,12,13,14)